data_1e8e_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 1e8e _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 19.2 m . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.368 -0.234 . . . . 0.0 110.368 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.516 ' N ' ' ND2' ' A' ' 4' ' ' ASN . 0.4 OUTLIER -77.82 -48.36 16.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.255 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -49.67 -48.78 49.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -64.53 -34.21 77.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -63.93 -49.68 71.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.8 mt -51.86 -51.94 53.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.433 ' O ' ' CB ' ' A' ' 13' ' ' THR . 95.7 t -53.49 -51.56 40.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -71.54 -6.98 44.68 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.838 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 7' ' ' LYS . 4.8 tppt? -96.28 -71.76 0.66 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.563 ' CE1' ' HG2' ' A' ' 109' ' ' LYS . 85.5 m-85 -50.67 -23.55 2.71 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.801 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.497 ' CG2' ' O ' ' A' ' 24' ' ' GLU . 18.7 m -74.36 -42.42 59.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.396 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -65.3 -52.53 53.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.343 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.7 mt -51.38 -51.32 24.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.99 -56.2 22.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.232 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -54.23 -33.21 57.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.622 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 39.5 t -70.81 -16.49 62.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.006 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -105.34 -37.59 6.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -136.49 94.1 13.84 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_exo -46.93 -22.76 2.16 Favored 'Trans proline' 0 N--CA 1.446 -1.265 0 C-N-CA 124.336 3.358 . . . . 0.0 109.593 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -65.51 -44.28 87.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -75.32 119.02 18.86 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.023 -0.99 . . . . 0.0 109.805 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.497 ' O ' ' CG2' ' A' ' 13' ' ' THR . 1.7 mt-10 -118.84 -44.53 2.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -132.8 164.94 40.2 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -91.33 -169.15 0.28 Allowed 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.329 3.353 . . . . 0.0 109.626 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 40.5 t -151.07 172.98 14.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.973 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.513 ' O ' ' CE2' ' A' ' 115' ' ' TYR . 7.7 pt -121.66 29.99 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.262 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 20.8 m -132.64 6.38 4.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.411 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.447 ' CB ' ' OD1' ' A' ' 111' ' ' ASN . 1.0 OUTLIER -112.59 -25.59 9.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.778 ' N ' HD22 ' A' ' 111' ' ' ASN . . . -79.68 54.66 4.41 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.436 1.085 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.21 -66.55 0.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 0.729 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.455 ' CG2' ' HD3' ' A' ' 37' ' ' ARG . 33.7 mt -59.99 -50.57 79.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -53.97 -21.64 8.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.539 ' CD1' ' HB2' ' A' ' 49' ' ' CYS . 86.4 t80 -109.08 6.04 24.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.467 1.104 . . . . 0.0 110.99 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.404 ' OD1' ' O ' ' A' ' 35' ' ' PHE . 76.4 m-20 -140.21 22.62 2.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.455 ' HD3' ' CG2' ' A' ' 33' ' ' ILE . 1.5 ttp85 -105.15 104.11 13.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.286 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -56.42 96.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.533 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 25.9 p90 -100.02 164.45 11.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.87 147.48 28.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 33.5 p -103.19 153.99 37.99 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.381 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -65.51 -6.1 12.92 Favored 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 124.328 3.352 . . . . 0.0 109.594 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 p -104.26 34.82 2.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.998 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 43.0 80.96 0.04 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.54 1.15 . . . . 0.0 110.98 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.7 tttp 172.49 124.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.467 0.746 . . . . 0.0 109.3 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.34 154.11 27.97 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.143 . . . . 0.0 110.263 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -163.5 176.76 9.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.533 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -155.38 152.56 29.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.539 ' HB2' ' CD1' ' A' ' 35' ' ' PHE . 57.8 m -65.29 -12.62 53.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 108.294 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.419 ' O ' ' HA ' ' A' ' 54' ' ' THR . . . -102.49 6.13 39.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.342 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.404 ' OG ' ' O ' ' A' ' 48' ' ' ALA . 94.8 p -76.33 -29.69 57.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.944 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 71.4 m -118.1 -45.44 2.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 108.25 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.518 ' O ' ' OG1' ' A' ' 54' ' ' THR . 77.4 m-70 -84.69 14.57 4.55 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.063 -0.971 . . . . 0.0 109.721 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.518 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 49.4 p 50.27 172.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.417 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.404 ' HA ' ' CB ' ' A' ' 50' ' ' ALA . 8.6 p30 -53.31 -24.87 12.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -131.05 125.13 20.99 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.242 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.535 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 60.9 Cg_endo -70.48 -41.2 3.53 Favored 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.302 3.335 . . . . 0.0 109.587 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.43 -16.97 6.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -88.69 176.37 7.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 53.7 t -79.54 120.67 31.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -84.08 -168.52 44.03 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.485 1.115 . . . . 0.0 110.977 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.14 120.69 0.98 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 0.779 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.441 ' ND2' ' CD1' ' A' ' 70' ' ' ILE . 84.5 m-20 -76.83 129.75 36.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.107 . . . . 0.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 6.4 pt -85.69 9.05 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.344 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 53.6 t -91.28 -55.46 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 68.2 p -107.42 -33.29 7.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 110.384 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 77.82 36.84 31.45 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.433 1.083 . . . . 0.0 110.984 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -81.97 -94.44 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 0.756 . . . . 0.0 109.26 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -177.99 123.13 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.355 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.441 ' CD1' ' ND2' ' A' ' 63' ' ' ASN . 1.8 mm -112.81 97.88 42.99 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -48.94 167.83 0.12 Allowed 'Trans proline' 0 N--CA 1.448 -1.193 0 C-N-CA 124.315 3.343 . . . . 0.0 109.578 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_exo -37.76 131.46 0.77 Allowed 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.282 3.322 . . . . 0.0 109.633 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 75' ' ' PRO . 4.1 tp -87.84 -31.01 19.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.454 ' CB ' ' HB ' ' A' ' 77' ' ' VAL . . . -37.89 98.42 0.16 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.566 ' HB3' ' CD1' ' A' ' 82' ' ' PHE . 26.2 Cg_exo -62.85 -18.25 63.72 Favored 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 124.316 3.344 . . . . 0.0 109.61 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -94.01 -40.57 10.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.454 ' HB ' ' CB ' ' A' ' 74' ' ' ALA . 41.2 t -59.96 -39.99 81.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.447 ' N ' ' OD1' ' A' ' 78' ' ' ASN . 0.4 OUTLIER -93.92 134.65 36.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 19.3 p -82.25 -7.13 59.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.378 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.82 43.72 1.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.352 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.478 ' CB ' ' HA ' ' A' ' 75' ' ' PRO . 50.6 mmt-85 -145.25 172.27 13.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.566 ' CD1' ' HB3' ' A' ' 75' ' ' PRO . 1.6 m-30 36.44 64.76 0.51 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 110.987 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 24.5 m -101.51 -64.26 1.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.39 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -79.38 149.06 31.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 109.329 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.48 ' CG1' ' HB3' ' A' ' 4' ' ' ASN . 2.8 mp -107.84 -45.95 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -45.62 -67.77 0.25 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.441 1.088 . . . . 0.0 109.324 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.448 ' C ' ' N ' ' A' ' 89' ' ' GLU . 0.2 OUTLIER -52.84 -63.88 1.0 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.257 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 87' ' ' LYS . 1.2 t -40.15 -30.13 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.448 ' N ' ' C ' ' A' ' 87' ' ' LYS . 5.4 tt0 -80.01 53.65 1.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.339 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 30.1 t0 178.39 -50.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.422 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 4.2 mm-40 -54.34 -20.63 7.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.307 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.577 ' CD1' ' HD2' ' A' ' 109' ' ' LYS . 0.1 OUTLIER -81.85 -30.91 31.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 111.008 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.1 m -84.55 -36.37 22.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.43 1.081 . . . . 0.0 110.404 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.3 mmpt? -68.16 -31.98 71.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.578 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.3 t60 -64.9 -58.68 5.51 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.766 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . 0.414 ' C ' ' O ' ' A' ' 102' ' ' ALA . 4.5 m -55.91 -22.79 27.78 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.603 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.438 ' HA ' ' N ' ' A' ' 102' ' ' ALA . 1.9 m-80 -83.16 -13.19 56.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.67 6.35 13.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.578 HG13 ' CE1' ' A' ' 95' ' ' HIS . 19.8 mm -121.71 -51.63 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 78.3 mt -97.62 -29.04 13.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 105.96 12.02 26.83 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.555 1.159 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.438 ' N ' ' HA ' ' A' ' 97' ' ' ASN . . . -168.17 -173.17 1.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 0.749 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -87.64 125.94 34.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 58.3 m -63.14 160.24 15.8 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.605 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' SER . . . . . 0.479 ' HB2' ' CG ' ' A' ' 108' ' ' GLU . 1.9 m -67.85 149.19 98.34 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.992 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -65.97 -23.49 54.16 Favored 'Trans proline' 0 N--CA 1.446 -1.269 0 C-N-CA 124.334 3.356 . . . . 0.0 109.63 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.83 -8.53 51.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.993 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.479 ' CG ' ' HB2' ' A' ' 105' ' ' SER . 3.9 mm-40 -94.65 -13.89 25.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.293 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.577 ' HD2' ' CD1' ' A' ' 92' ' ' PHE . 2.6 tppt? -86.59 -59.3 2.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -52.18 -24.71 7.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.778 HD22 ' N ' ' A' ' 31' ' ' GLY . 0.8 OUTLIER -71.62 -54.87 9.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.65 ' CE2' ' CD1' ' A' ' 116' ' ' LEU . 45.9 t80 -59.51 -45.57 91.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 111.042 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.462 ' CD1' ' HG3' ' A' ' 109' ' ' LYS . 1.7 mt -55.59 -35.96 40.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -65.02 -66.78 0.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.513 ' CE2' ' O ' ' A' ' 28' ' ' ILE . 0.2 OUTLIER -50.56 -34.4 25.52 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.814 -179.93 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.65 ' CD1' ' CE2' ' A' ' 112' ' ' PHE . 7.6 mt -70.54 -36.92 73.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.48 ' O ' ' CD1' ' A' ' 117' ' ' LEU . 1.7 pp -96.8 28.39 3.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 6.9 m . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.379 -179.971 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 48.6 m . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.553 0.216 . . . . 0.0 110.436 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.542 ' N ' ' ND2' ' A' ' 4' ' ' ASN . 0.3 OUTLIER -78.45 -47.76 16.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -44.19 -46.87 9.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -60.54 -47.56 85.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -59.08 -46.68 87.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.261 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.473 ' CD1' HG13 ' A' ' 88' ' ' VAL . 8.6 mt -53.27 -52.18 59.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.428 ' CG2' HG23 ' A' ' 113' ' ' ILE . 75.4 t -56.11 -49.36 76.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.092 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -74.32 -3.01 27.66 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.778 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 7' ' ' LYS . 3.4 mmmt -100.2 -72.79 0.66 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -50.23 -22.84 1.91 Allowed 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.834 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.425 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 19.6 m -74.95 -42.59 57.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.431 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -64.44 -51.1 64.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.1 mt -52.9 -46.32 52.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.53 -50.79 72.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -58.14 -31.88 67.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.09 . . . . 0.0 109.604 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.2 t -72.02 -17.37 62.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 0.0 109.976 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -104.37 -35.92 7.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -137.42 93.4 12.79 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo -47.89 -22.11 3.1 Favored 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.305 3.336 . . . . 0.0 109.573 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -66.87 -43.05 84.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 111.045 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -75.45 117.27 17.06 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 114.944 -1.026 . . . . 0.0 109.808 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -117.09 -43.6 2.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.11 . . . . 0.0 110.273 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -132.06 168.03 19.53 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.346 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -93.26 175.31 1.6 Allowed 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 124.318 3.345 . . . . 0.0 109.574 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.28 135.58 37.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.996 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.563 ' CG2' ' O ' ' A' ' 28' ' ' ILE . 3.7 mt -92.6 38.16 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 49.5 m -148.47 34.68 0.79 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 110.36 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -137.23 -49.94 0.62 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.467 ' O ' ' CB ' ' A' ' 35' ' ' PHE . . . -39.08 -37.54 0.67 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.517 1.136 . . . . 0.0 111.063 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.517 ' HG2' ' CZ ' ' A' ' 115' ' ' TYR . 0.4 OUTLIER -51.98 -72.16 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 0.723 . . . . 0.0 109.26 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 15.7 mt -46.84 -57.01 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -54.88 -17.77 4.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.132 . . . . 0.0 111.008 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.558 ' CD1' ' HB2' ' A' ' 49' ' ' CYS . 87.5 t80 -111.62 3.88 18.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 32' ' ' LYS . 67.4 m-20 -139.97 24.06 2.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.344 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -104.28 98.46 8.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.132 . . . . 0.0 110.271 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -51.66 94.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.582 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 25.9 p90 -100.15 162.88 12.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 110.97 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.9 mttt -107.11 145.64 32.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.095 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.7 p -100.14 153.25 37.86 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.423 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -64.6 -8.21 16.71 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.276 3.317 . . . . 0.0 109.623 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.6 p -101.94 33.68 2.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.029 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 42.07 77.41 0.08 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.509 1.131 . . . . 0.0 111.042 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 178.68 112.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 0.779 . . . . 0.0 109.255 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -69.22 152.74 44.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 110.312 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -163.8 177.52 8.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.582 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -158.07 156.49 31.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.558 ' HB2' ' CD1' ' A' ' 35' ' ' PHE . 34.8 m -70.76 -8.26 51.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 108.297 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.441 ' O ' ' HA ' ' A' ' 54' ' ' THR . . . -106.53 4.05 27.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.404 ' HB2' ' O ' ' A' ' 48' ' ' ALA . 0.3 OUTLIER -83.54 -18.43 38.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.117 . . . . 0.0 110.021 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 53.9 m -124.22 -45.2 1.98 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 108.302 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.51 ' O ' ' OG1' ' A' ' 54' ' ' THR . 73.8 m-70 -92.36 17.37 9.94 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.741 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.51 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 71.7 p 50.26 170.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 110.411 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.408 ' HA ' ' CB ' ' A' ' 50' ' ' ALA . 13.6 p30 -54.35 -20.09 6.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -133.13 124.27 18.34 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.488 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 66.6 Cg_endo -71.12 -47.17 0.57 Allowed 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 124.327 3.352 . . . . 0.0 109.61 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.28 -19.08 2.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.358 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.401 ' N ' ' C ' ' A' ' 57' ' ' PRO . 12.5 t-20 -86.55 173.69 9.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 78.6 t -74.69 122.14 27.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 70' ' ' ILE . . . -92.75 -177.58 41.06 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.528 1.142 . . . . 0.0 111.041 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 59.8 tttt -159.85 133.34 7.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 0.754 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.424 ' ND2' HD12 ' A' ' 70' ' ' ILE . 92.0 m-20 -83.98 130.88 34.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.347 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 7.1 pt -85.16 7.2 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 57.8 t -88.81 -54.81 7.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 70.0 p -107.4 -34.4 7.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.398 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 81.51 33.25 28.59 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.555 1.159 . . . . 0.0 111.035 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.6 mmtp -79.08 -94.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 0.775 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -179.47 123.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.424 HD12 ' ND2' ' A' ' 63' ' ' ASN . 2.6 mm -112.34 99.28 46.25 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.348 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -49.0 167.08 0.14 Allowed 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.304 3.336 . . . . 0.0 109.601 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_exo -37.18 132.05 0.52 Allowed 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.287 3.325 . . . . 0.0 109.615 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 74' ' ' ALA . 6.3 tp -86.91 -28.83 22.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 73' ' ' LEU . . . -39.28 113.41 0.82 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.512 ' HB2' ' CG ' ' A' ' 82' ' ' PHE . 54.3 Cg_endo -72.8 -4.11 14.78 Favored 'Trans proline' 0 N--CA 1.448 -1.168 0 C-N-CA 124.281 3.321 . . . . 0.0 109.567 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.4 ttt180 -106.34 -51.77 2.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.311 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 7.6 t -45.72 -42.82 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.443 ' N ' ' OD1' ' A' ' 78' ' ' ASN . 0.4 OUTLIER -95.63 141.44 29.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.536 1.148 . . . . 0.0 109.272 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.7 p -89.23 1.25 55.97 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 110.41 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.18 46.11 1.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.471 ' CB ' ' HA ' ' A' ' 75' ' ' PRO . 60.3 mmt-85 -143.26 168.74 19.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.28 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.512 ' CG ' ' HB2' ' A' ' 75' ' ' PRO . 2.7 m-30 36.6 62.78 0.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.949 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.477 ' O ' ' CG2' ' A' ' 83' ' ' THR . 3.4 m -124.94 44.63 2.74 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 110.392 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.435 ' C ' ' N ' ' A' ' 86' ' ' ASP . 44.8 t0 -174.86 79.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.402 ' O ' HG21 ' A' ' 85' ' ' ILE . 6.1 mt -41.12 -28.96 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.34 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.435 ' N ' ' C ' ' A' ' 84' ' ' ASP . 15.2 m-20 -66.53 -68.63 0.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 88' ' ' VAL . 3.1 ttmm -41.08 -47.09 3.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.473 HG13 ' CD1' ' A' ' 8' ' ' LEU . 2.1 t -38.06 -58.27 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.46 80.53 6.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 110.278 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.0 t70 176.69 -66.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 0.0 109.303 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.484 ' HG3' ' N ' ' A' ' 92' ' ' PHE . 9.4 pt-20 -64.86 -38.46 91.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.575 ' CD1' ' HD2' ' A' ' 109' ' ' LYS . 0.1 OUTLIER -59.57 -26.66 65.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 111.01 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.3 m -87.79 -41.31 13.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.385 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.68 -29.83 69.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.53 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.4 t60 -66.68 -58.83 4.33 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.791 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . 0.419 ' C ' ' O ' ' A' ' 102' ' ' ALA . 12.5 m -57.27 -24.1 52.61 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.579 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.417 ' HA ' ' N ' ' A' ' 102' ' ' ALA . 2.0 m-80 -82.74 -12.4 57.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.264 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.67 8.28 11.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.53 HG13 ' CE1' ' A' ' 95' ' ' HIS . 20.0 mm -124.49 -43.13 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 56.5 mt -106.82 -31.57 8.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 108.43 11.71 22.97 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.523 1.139 . . . . 0.0 111.039 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 96' ' ' CYS . . . -166.35 -173.89 2.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 0.785 . . . . 0.0 109.341 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -89.67 126.03 35.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 56.2 m -62.12 160.9 11.87 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.613 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 23.3 t -74.77 142.99 77.65 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.989 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -59.12 -17.7 39.95 Favored 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.337 3.358 . . . . 0.0 109.593 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 60.4 p -86.17 -42.14 14.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.013 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -68.36 -11.84 60.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.575 ' HD2' ' CD1' ' A' ' 92' ' ' PHE . 2.7 tppp? -87.21 -62.95 1.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -51.96 -20.91 2.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -76.37 -49.95 15.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.587 ' CE2' HD23 ' A' ' 116' ' ' LEU . 40.1 t80 -62.92 -44.9 94.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.428 HG23 ' CG2' ' A' ' 9' ' ' VAL . 1.5 mt -53.66 -38.64 35.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -66.02 -62.77 1.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.517 ' CZ ' ' HG2' ' A' ' 32' ' ' LYS . 1.1 t80 -48.67 -32.5 8.44 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.809 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.587 HD23 ' CE2' ' A' ' 112' ' ' PHE . 1.0 OUTLIER -74.45 -42.29 59.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.498 ' O ' ' CD1' ' A' ' 117' ' ' LEU . 1.6 pp -91.98 33.32 1.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.581 1.176 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.427 ' CG2' HG22 ' A' ' 28' ' ' ILE . 57.0 m . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.356 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 23.5 m . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.521 ' N ' ' ND2' ' A' ' 4' ' ' ASN . 0.4 OUTLIER -76.74 -47.3 22.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.418 1.074 . . . . 0.0 109.256 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.57 -44.45 72.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -65.17 -36.64 84.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.264 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -52.21 64.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.0 mt -51.1 -49.67 60.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.337 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.427 ' O ' ' CB ' ' A' ' 13' ' ' THR . 42.2 t -53.17 -51.69 37.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -72.81 -4.71 33.31 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.843 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -97.9 -72.72 0.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -50.61 -22.7 2.14 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 114.997 -1.002 . . . . 0.0 109.889 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.427 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 8.8 m -72.3 -40.77 67.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.165 . . . . 0.0 110.425 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.92 -52.94 53.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.9 mt -51.58 -48.84 35.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.76 -58.11 8.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 70.0 t60 -58.13 -31.02 66.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.602 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 47.9 t -70.64 -14.66 62.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.971 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -100.85 -42.75 6.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -141.25 128.69 11.9 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -67.18 -6.51 16.35 Favored 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.345 3.363 . . . . 0.0 109.624 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.8 mmt -75.19 -45.28 41.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 110.986 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -78.98 123.42 27.27 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.816 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -120.53 -45.41 2.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.11 . . . . 0.0 110.331 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.456 ' CB ' ' CD ' ' A' ' 26' ' ' PRO . . . -133.89 175.25 3.82 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.456 ' CD ' ' CB ' ' A' ' 25' ' ' ALA . 6.7 Cg_exo -75.25 -167.45 0.43 Allowed 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.308 3.339 . . . . 0.0 109.57 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 32.3 t -160.09 160.78 33.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.018 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 7.3 pt -126.86 53.71 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.483 ' CG2' ' O ' ' A' ' 29' ' ' THR . 3.5 m -162.21 35.82 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.435 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -143.99 -49.46 0.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' A' ' 35' ' ' PHE . . . -38.88 -52.63 2.55 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 110.951 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -46.44 -74.02 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 0.757 . . . . 0.0 109.282 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 15.4 mt -45.5 -58.6 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -54.17 -18.15 3.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.537 ' CD1' ' CB ' ' A' ' 49' ' ' CYS . 87.0 t80 -110.23 2.75 19.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 111.017 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 32' ' ' LYS . 79.4 m-20 -140.99 28.37 1.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.462 ' O ' ' N ' ' A' ' 39' ' ' PHE . 35.9 ttt85 -106.51 90.73 3.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.355 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.4 ttmm -44.5 95.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.592 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 31.9 p90 -104.12 162.51 13.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.137 . . . . 0.0 110.961 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.58 134.33 52.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 19.8 p -84.16 154.54 63.59 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.41 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.473 ' CG ' ' HA2' ' A' ' 101' ' ' GLY . 47.7 Cg_endo -61.32 -9.68 13.58 Favored 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 124.254 3.302 . . . . 0.0 109.606 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 p -102.8 35.06 2.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.987 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 43.2 80.33 0.05 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.486 1.116 . . . . 0.0 110.981 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -175.22 123.13 0.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 0.775 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -83.38 124.91 31.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.273 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.58 -174.36 3.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.592 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -166.52 154.81 10.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.537 ' CB ' ' CD1' ' A' ' 35' ' ' PHE . 35.4 m -70.44 -8.12 48.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 108.304 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.437 ' CB ' ' HA ' ' A' ' 55' ' ' ASN . . . -106.4 3.05 26.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.406 ' HB2' ' O ' ' A' ' 48' ' ' ALA . 0.5 OUTLIER -83.44 -16.17 46.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.006 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 21.2 m -126.23 -43.23 1.8 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 108.315 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.512 ' O ' ' OG1' ' A' ' 54' ' ' THR . 79.0 m-70 -95.26 18.86 11.58 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 114.999 -1.001 . . . . 0.0 109.784 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.512 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 49.9 p 50.25 170.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.402 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.437 ' HA ' ' CB ' ' A' ' 50' ' ' ALA . 9.6 p30 -52.18 -24.97 7.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.118 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -129.92 127.2 22.73 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.516 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 73.2 Cg_endo -71.08 -43.19 1.68 Allowed 'Trans proline' 0 N--CA 1.448 -1.202 0 C-N-CA 124.333 3.356 . . . . 0.0 109.585 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.09 -18.13 5.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 0.0 109.273 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -86.91 176.19 7.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 51.0 t -77.94 124.5 36.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -91.89 -169.33 41.15 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.514 1.134 . . . . 0.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.466 ' CG ' ' O ' ' A' ' 68' ' ' LYS . 6.9 ttpt 176.1 131.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 0.749 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -83.01 133.73 35.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.0 pt -83.65 6.92 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 61.5 t -84.63 -49.53 15.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 72.2 p -107.78 -32.78 7.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 110.411 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 88.68 45.16 4.98 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.455 1.097 . . . . 0.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.466 ' O ' ' CG ' ' A' ' 62' ' ' LYS . 0.6 OUTLIER -98.04 -161.56 0.88 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 0.752 . . . . 0.0 109.326 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.469 ' N ' ' CD ' ' A' ' 69' ' ' GLU . 1.2 pm0 -131.73 101.29 5.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.297 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.2 mm -83.59 115.43 59.44 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.4 ' HD3' ' O ' ' A' ' 69' ' ' GLU . 76.6 Cg_exo -50.02 166.0 0.3 Allowed 'Trans proline' 0 N--CA 1.448 -1.196 0 C-N-CA 124.307 3.338 . . . . 0.0 109.576 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -42.37 126.55 3.94 Favored 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.311 3.341 . . . . 0.0 109.577 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 75' ' ' PRO . 6.4 tp -81.96 -33.86 30.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.279 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.454 ' CB ' ' HB ' ' A' ' 77' ' ' VAL . . . -37.73 97.8 0.14 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.474 ' HA ' ' CB ' ' A' ' 81' ' ' ARG . 24.4 Cg_exo -63.55 -17.14 58.69 Favored 'Trans proline' 0 N--CA 1.447 -1.265 0 C-N-CA 124.338 3.359 . . . . 0.0 109.609 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.99 -46.09 7.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.326 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.454 ' HB ' ' CB ' ' A' ' 74' ' ' ALA . 15.3 t -54.13 -41.76 52.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.458 ' N ' ' OD1' ' A' ' 78' ' ' ASN . 0.4 OUTLIER -93.69 133.04 37.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 21.2 p -81.31 -7.39 59.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.427 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.93 43.82 1.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.474 ' CB ' ' HA ' ' A' ' 75' ' ' PRO . 51.6 mmt-85 -144.64 170.52 15.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.366 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.446 ' CD1' ' HB3' ' A' ' 75' ' ' PRO . 2.0 m-30 39.09 64.9 0.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 88.8 m -102.34 -61.39 1.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.424 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -85.11 110.23 18.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.272 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.478 ' CG1' ' HB3' ' A' ' 4' ' ' ASN . 2.8 mp -69.95 -42.41 79.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.72 -57.67 5.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.451 ' C ' ' N ' ' A' ' 89' ' ' GLU . 0.7 OUTLIER -57.41 -66.17 0.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 87' ' ' LYS . 1.2 t -39.93 -30.19 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.451 ' N ' ' C ' ' A' ' 87' ' ' LYS . 1.1 tm-20 -81.06 61.97 4.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.289 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.405 ' CG ' ' O ' ' A' ' 89' ' ' GLU . 1.7 m-20 167.08 -46.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.234 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.457 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 3.6 mm-40 -57.44 -16.62 9.92 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.527 1.142 . . . . 0.0 110.252 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.571 ' CD1' ' HD2' ' A' ' 109' ' ' LYS . 0.1 OUTLIER -88.09 -23.02 23.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.2 m -89.43 -39.58 13.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.403 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -68.13 -29.79 68.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.582 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.2 t60 -68.33 -59.25 3.33 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.775 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . 0.418 ' C ' ' O ' ' A' ' 102' ' ' ALA . 7.7 m -55.9 -23.99 34.78 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.342 -0.844 . . . . 0.0 109.564 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.414 ' HA ' ' N ' ' A' ' 102' ' ' ALA . 1.8 m-20 -82.12 -13.33 57.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.257 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -117.18 4.78 12.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.582 HG13 ' CE1' ' A' ' 95' ' ' HIS . 36.3 mm -120.82 -50.6 3.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.406 ' O ' ' CD ' ' A' ' 42' ' ' PRO . 52.7 mt -98.24 -25.18 14.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.473 ' HA2' ' CG ' ' A' ' 42' ' ' PRO . . . 99.13 13.87 37.95 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 96' ' ' CYS . . . -164.91 -172.41 2.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 0.778 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -93.08 122.53 35.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.359 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 35.8 m -59.37 162.24 4.92 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.031 -0.986 . . . . 0.0 109.531 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 6.7 t -78.39 141.41 61.38 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 109.997 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_endo -57.14 -15.65 18.8 Favored 'Trans proline' 0 N--CA 1.447 -1.257 0 C-N-CA 124.329 3.352 . . . . 0.0 109.585 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 60.1 p -85.57 -43.21 13.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.968 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -70.8 -9.9 58.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 110.245 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.571 ' HD2' ' CD1' ' A' ' 92' ' ' PHE . 0.6 OUTLIER -86.28 -62.65 1.47 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.349 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.47 -18.37 11.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 109.254 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -77.17 -52.36 9.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.254 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.586 ' CE2' ' CD2' ' A' ' 116' ' ' LEU . 57.0 t80 -61.53 -43.16 99.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.575 1.172 . . . . 0.0 110.985 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.402 ' CG2' HG21 ' A' ' 9' ' ' VAL . 1.4 mt -53.7 -34.44 24.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 118' ' ' THR . . . -71.15 -69.82 0.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -41.05 -27.66 0.07 Allowed 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 114.999 -1.001 . . . . 0.0 109.81 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.586 ' CD2' ' CE2' ' A' ' 112' ' ' PHE . 0.3 OUTLIER -79.61 -48.29 14.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.145 . . . . 0.0 109.331 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.46 ' O ' ' CD1' ' A' ' 117' ' ' LEU . 1.0 OUTLIER -85.72 12.9 7.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.266 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 114' ' ' ALA . 6.8 m . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.367 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.1 m . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.359 -0.237 . . . . 0.0 110.359 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.471 ' N ' ' ND2' ' A' ' 4' ' ' ASN . 0.4 OUTLIER -78.24 -47.64 17.51 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.103 . . . . 0.0 109.28 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -49.65 -49.98 45.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -59.72 -44.87 93.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.112 . . . . 0.0 110.307 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 11' ' ' LYS . 1.7 mmtt -57.1 -47.91 79.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.9 mt -53.29 -53.5 49.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.478 ' CG1' ' HG2' ' A' ' 26' ' ' PRO . 93.2 t -59.08 -37.74 69.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -79.28 -6.71 57.3 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.864 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 14' ' ' ASN . 4.5 mmtt -102.73 -72.34 0.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -46.14 -24.36 0.44 Allowed 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.807 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.42 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 11.6 m -73.33 -37.86 65.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.364 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 11' ' ' LYS . 3.8 m120 -66.44 -52.31 47.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.5 mt -52.33 -51.73 30.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.85 -57.46 9.28 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -57.28 -33.33 67.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.615 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 39.7 t -72.59 -8.21 54.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 110.031 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -112.78 -42.73 3.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.282 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -134.85 96.41 14.71 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_exo -44.51 -24.74 1.16 Allowed 'Trans proline' 0 N--CA 1.447 -1.257 0 C-N-CA 124.324 3.349 . . . . 0.0 109.615 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 3.5 mtt -60.65 -45.24 94.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.968 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -75.95 118.08 18.34 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.82 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -114.72 -44.56 3.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.413 ' CB ' ' CD ' ' A' ' 26' ' ' PRO . . . -136.79 172.88 6.23 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.165 . . . . 0.0 109.28 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.478 ' HG2' ' CG1' ' A' ' 9' ' ' VAL . 1.4 Cg_endo -85.58 -173.76 1.44 Allowed 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.287 3.325 . . . . 0.0 109.605 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.2 t -154.8 162.64 41.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.992 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.0 pt -118.23 48.47 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.294 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.431 ' CG2' ' O ' ' A' ' 29' ' ' THR . 14.1 m -160.78 36.82 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.42 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' A' ' 30' ' ' ASP . 0.0 OUTLIER -142.39 -46.14 0.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.086 . . . . 0.0 109.343 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 35' ' ' PHE . . . -49.09 -45.79 33.51 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.483 1.114 . . . . 0.0 111.005 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.494 ' HB3' ' CZ ' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -49.23 -51.13 35.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 0.79 . . . . 0.0 109.283 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.2 mt -62.91 -59.06 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.32 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -55.71 -16.44 4.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.584 ' CD1' ' HB2' ' A' ' 49' ' ' CYS . 89.6 t80 -111.03 4.05 19.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.42 ' OD1' ' O ' ' A' ' 35' ' ' PHE . 75.7 m-20 -140.42 24.24 2.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.356 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -106.87 100.31 9.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.34 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.6 ttmt -52.2 95.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.578 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 26.3 p90 -100.53 163.97 12.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -108.46 143.0 38.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 25.3 p -96.69 153.4 38.74 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 110.417 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -64.57 -7.95 15.91 Favored 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.321 3.347 . . . . 0.0 109.602 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 p -99.52 32.53 2.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.566 1.166 . . . . 0.0 109.971 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 46.31 72.32 0.41 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.0 ttpp -176.43 135.73 0.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 0.744 . . . . 0.0 109.292 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -91.38 151.73 20.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.322 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -163.0 -179.93 7.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.578 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -159.04 155.48 27.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.584 ' HB2' ' CD1' ' A' ' 35' ' ' PHE . 29.3 m -70.5 -8.52 51.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 108.298 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.445 ' O ' ' HA ' ' A' ' 54' ' ' THR . . . -105.41 2.83 29.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.409 ' HB2' ' O ' ' A' ' 48' ' ' ALA . 0.3 OUTLIER -82.57 -16.67 47.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.112 . . . . 0.0 110.025 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 68.2 m -125.95 -45.86 1.71 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.153 . . . . 0.0 108.297 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.506 ' O ' ' O ' ' A' ' 54' ' ' THR . 59.1 m-70 -92.68 18.54 8.62 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 114.975 -1.011 . . . . 0.0 109.783 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.506 ' O ' ' O ' ' A' ' 53' ' ' HIS . 36.5 p 49.55 171.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 110.389 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -52.48 -21.7 4.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -134.82 126.24 17.78 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.547 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 69.4 Cg_endo -70.56 -43.57 1.93 Allowed 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.301 3.334 . . . . 0.0 109.584 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.2 -18.67 4.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -89.23 171.24 9.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 73.0 t -71.07 135.83 27.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.253 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -110.24 -176.12 20.82 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.46 1.1 . . . . 0.0 110.938 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.3 tttt -161.02 133.99 6.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 0.743 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.411 ' ND2' HD12 ' A' ' 70' ' ' ILE . 80.7 m-20 -80.56 126.37 31.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.6 pt -84.51 7.42 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 55.4 t -86.61 -56.17 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.1 p -111.79 -33.42 6.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.43 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 84.33 40.03 8.73 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.485 1.116 . . . . 0.0 111.024 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.454 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 1.4 tppp? -77.83 -92.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 0.77 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.454 ' HB3' ' O ' ' A' ' 68' ' ' LYS . 13.0 pt-20 176.35 120.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.411 HD12 ' ND2' ' A' ' 63' ' ' ASN . 2.2 mm -111.61 127.86 26.26 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -77.63 167.49 24.04 Favored 'Trans proline' 0 N--CA 1.447 -1.221 0 C-N-CA 124.292 3.328 . . . . 0.0 109.594 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_exo -36.89 131.85 0.44 Allowed 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 124.323 3.349 . . . . 0.0 109.555 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.415 ' O ' ' N ' ' A' ' 75' ' ' PRO . 6.6 tp -82.57 -30.73 29.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.449 ' CB ' HG22 ' A' ' 77' ' ' VAL . . . -39.99 99.63 0.2 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.567 ' HB3' ' CD1' ' A' ' 82' ' ' PHE . 24.6 Cg_exo -62.94 -11.35 24.11 Favored 'Trans proline' 0 N--CA 1.448 -1.181 0 C-N-CA 124.312 3.342 . . . . 0.0 109.581 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.1 ttp85 -97.95 -45.63 6.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 110.278 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.449 HG22 ' CB ' ' A' ' 74' ' ' ALA . 19.6 t -48.32 -42.92 11.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.456 ' N ' ' OD1' ' A' ' 78' ' ' ASN . 0.2 OUTLIER -102.48 149.26 24.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.26 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.402 ' O ' ' OG1' ' A' ' 83' ' ' THR . 25.1 p -81.92 -45.4 15.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 110.382 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -72.14 59.27 0.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 49.6 mmt-85 -143.56 -90.98 0.12 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.55 1.157 . . . . 0.0 110.317 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.567 ' CD1' ' HB3' ' A' ' 75' ' ' PRO . 2.3 m-30 -80.46 48.54 1.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.97 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 79' ' ' THR . 32.0 m -87.85 -10.46 50.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.405 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.467 ' OD1' ' N ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -130.67 117.61 19.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 109.339 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 7.4 tt -90.21 9.72 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.02 -76.89 0.44 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.467 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 3.3 tttt -48.01 -25.99 1.61 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.163 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 1.4 t -41.21 -53.72 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -86.42 75.24 9.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 110.259 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -174.96 -71.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.482 ' HG3' ' N ' ' A' ' 92' ' ' PHE . 8.7 pt-20 -57.9 -35.65 71.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.576 ' CD1' ' HD2' ' A' ' 109' ' ' LYS . 0.1 OUTLIER -61.45 -30.23 70.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 110.947 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.499 ' CG2' ' OD2' ' A' ' 103' ' ' ASP . 1.1 m -85.65 -36.96 19.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.377 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.34 -28.63 65.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.551 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.3 t60 -67.14 -59.11 3.73 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.793 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . 0.403 ' C ' ' O ' ' A' ' 102' ' ' ALA . 9.6 m -57.15 -23.26 46.16 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.617 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.451 ' HA ' ' N ' ' A' ' 102' ' ' ALA . 1.9 m-80 -81.76 -12.75 58.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.8 8.69 11.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.431 1.082 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.551 HG13 ' CE1' ' A' ' 95' ' ' HIS . 45.1 mm -126.01 -43.9 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 50.8 mt -105.18 -30.77 9.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 108.36 10.34 25.78 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.537 1.148 . . . . 0.0 110.983 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.451 ' N ' ' HA ' ' A' ' 97' ' ' ASN . . . -169.13 -175.85 2.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 0.73 . . . . 0.0 109.293 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.499 ' OD2' ' CG2' ' A' ' 93' ' ' THR . 9.9 t0 -85.9 124.68 32.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 56.2 m -61.0 160.81 9.26 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.584 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 29.2 t -71.73 143.76 87.5 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 0.0 110.0 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -57.31 -20.42 39.38 Favored 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 124.351 3.368 . . . . 0.0 109.589 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 60.1 p -81.32 -40.86 22.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.997 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -66.92 -18.71 65.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.321 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.576 ' HD2' ' CD1' ' A' ' 92' ' ' PHE . 1.2 tppp? -81.51 -59.19 2.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.63 -17.77 9.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.407 ' OD1' ' CG ' ' A' ' 30' ' ' ASP . 0.2 OUTLIER -81.86 -53.01 6.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.319 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.576 ' CZ ' HD23 ' A' ' 116' ' ' LEU . 77.0 t80 -57.2 -46.55 82.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 0.0 111.028 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 1.5 mt -53.91 -34.49 25.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -69.65 -65.51 0.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.494 ' CZ ' ' HB3' ' A' ' 32' ' ' LYS . 0.9 OUTLIER -49.66 -29.95 8.2 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.805 -179.912 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.576 HD23 ' CZ ' ' A' ' 112' ' ' PHE . 2.3 mm? -74.85 -44.12 50.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.6 pp -86.37 10.15 15.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 24.1 m . . . . . 0 C--N 1.324 -0.534 0 O-C-N 124.54 1.15 . . . . 0.0 110.39 179.992 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.6 m . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.435 -0.209 . . . . 0.0 110.435 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -106.01 -67.09 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.259 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -43.04 -32.76 0.71 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -70.01 -44.78 68.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 4' ' ' ASN . 0.1 OUTLIER -57.87 -47.28 83.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.2 mt -54.5 -53.4 54.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.26 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.444 ' CG2' HG23 ' A' ' 113' ' ' ILE . 62.1 t -54.36 -53.01 33.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -71.33 -2.7 17.22 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.014 -0.993 . . . . 0.0 109.827 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 7' ' ' LYS . 26.7 mmtt -101.4 -72.96 0.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -50.48 -22.06 1.76 Allowed 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.823 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.44 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 27.9 m -76.28 -45.7 31.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 110.397 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.423 ' O ' ' N ' ' A' ' 18' ' ' SER . 2.1 m120 -60.79 -51.11 70.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.4 mt -53.8 -46.22 62.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.07 -40.91 95.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.342 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.464 ' ND1' ' O ' ' A' ' 23' ' ' TYR . 13.8 t60 -71.23 -31.15 67.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.102 . . . . 0.0 109.658 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 14' ' ' ASN . 31.6 t -70.88 -16.68 62.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.102 . . . . 0.0 110.017 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -101.96 -31.06 10.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.259 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.452 ' ND2' ' SD ' ' A' ' 22' ' ' MET . 0.1 OUTLIER -141.87 114.03 6.49 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -77.2 48.55 2.56 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.283 3.322 . . . . 0.0 109.601 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.452 ' SD ' ' ND2' ' A' ' 20' ' ' ASN . 24.7 ptt? -151.54 39.08 0.64 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 111.047 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.464 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 51.3 t80 -150.49 122.47 8.21 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.816 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -101.0 -45.57 5.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.472 ' CB ' ' CD ' ' A' ' 26' ' ' PRO . . . -167.14 175.99 1.89 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.252 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.472 ' CD ' ' CB ' ' A' ' 25' ' ' ALA . 23.7 Cg_exo -68.69 -172.97 0.51 Allowed 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.326 3.351 . . . . 0.0 109.584 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.14 21.57 1.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.986 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 44.7 pt 43.91 49.56 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 109.324 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 92.5 m -127.94 -62.87 1.04 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.132 . . . . 0.0 110.431 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.84 -37.16 2.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.582 ' O ' ' CD2' ' A' ' 115' ' ' TYR . . . -69.22 58.94 0.59 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.485 1.116 . . . . 0.0 111.023 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.48 ' HG2' ' CZ ' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -161.67 -62.02 0.05 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.537 0.787 . . . . 0.0 109.304 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 22.7 mt -76.81 -49.3 23.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.613 ' CZ ' ' CD ' ' A' ' 108' ' ' GLU . 32.0 t80 -54.9 -19.83 7.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.604 ' CD1' ' CB ' ' A' ' 49' ' ' CYS . 87.0 t80 -109.23 4.09 22.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.424 ' OD1' ' O ' ' A' ' 35' ' ' PHE . 82.0 m-20 -142.21 27.89 1.73 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.418 1.074 . . . . 0.0 109.27 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 39' ' ' PHE . 2.3 tpm_? -105.11 94.47 5.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -45.41 94.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.601 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 25.6 p90 -107.51 158.24 17.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.976 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.89 139.89 41.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.0 p -87.95 154.78 52.72 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.428 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.429 ' CD ' ' O ' ' A' ' 100' ' ' LEU . 44.9 Cg_endo -60.91 -7.98 8.76 Favored 'Trans proline' 0 N--CA 1.448 -1.202 0 C-N-CA 124.313 3.342 . . . . 0.0 109.604 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -102.21 32.49 3.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.021 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 45.8 79.6 0.06 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.56 1.162 . . . . 0.0 110.985 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 20.4 ttpt -174.88 129.46 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 0.742 . . . . 0.0 109.327 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -88.93 124.17 33.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.245 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -136.89 -171.07 2.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.601 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -171.72 154.33 3.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.107 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.604 ' CB ' ' CD1' ' A' ' 35' ' ' PHE . 22.0 m -70.69 -8.14 49.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 108.311 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.427 ' O ' ' HA ' ' A' ' 54' ' ' THR . . . -106.5 4.61 28.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.401 ' HB2' ' O ' ' A' ' 48' ' ' ALA . 0.3 OUTLIER -83.92 -20.17 33.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.964 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 85.8 m -123.69 -47.73 1.94 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 108.248 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.51 ' O ' ' OG1' ' A' ' 54' ' ' THR . 56.6 m-70 -89.49 16.46 7.62 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 115.034 -0.984 . . . . 0.0 109.709 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.51 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 51.4 p 50.07 170.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 110.388 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -52.52 -25.71 11.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -129.01 124.76 22.56 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 109.313 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.479 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 60.2 Cg_endo -70.58 -37.97 6.58 Favored 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.301 3.334 . . . . 0.0 109.6 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.404 ' HA ' ' CB ' ' A' ' 74' ' ' ALA . . . -60.45 -14.22 18.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -91.61 173.66 7.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.336 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.3 t -75.5 121.86 28.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 70' ' ' ILE . . . -92.19 -174.85 42.2 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.536 1.147 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -161.71 135.34 6.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 0.795 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.42 ' ND2' ' CD1' ' A' ' 70' ' ' ILE . 89.1 m-20 -85.24 131.28 34.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.3 pt -85.36 6.75 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 64.6 t -88.13 -52.33 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 76.7 p -109.46 -33.46 6.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 110.375 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 80.93 36.46 21.89 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.522 1.139 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.402 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 0.2 OUTLIER -83.63 -95.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 0.743 . . . . 0.0 109.264 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.402 ' HB3' ' O ' ' A' ' 68' ' ' LYS . 11.3 pt-20 -179.21 122.88 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.42 ' CD1' ' ND2' ' A' ' 63' ' ' ASN . 2.6 mm -109.39 106.7 58.94 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.401 ' HB2' ' NH2' ' A' ' 81' ' ' ARG . 78.4 Cg_exo -49.62 165.13 0.29 Allowed 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.29 3.327 . . . . 0.0 109.628 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -41.61 127.44 3.38 Favored 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.306 3.338 . . . . 0.0 109.649 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 75' ' ' PRO . 5.3 tp -84.41 -28.46 26.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.275 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 73' ' ' LEU . . . -37.1 96.51 0.11 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.583 ' HB2' ' CD2' ' A' ' 82' ' ' PHE . 21.9 Cg_exo -67.01 54.13 0.44 Allowed 'Trans proline' 0 N--CA 1.448 -1.187 0 C-N-CA 124.306 3.337 . . . . 0.0 109.568 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 10.0 ttt180 -166.05 -53.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.275 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 14.3 t -44.6 -41.92 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.456 ' N ' ' OD1' ' A' ' 78' ' ' ASN . 0.4 OUTLIER -92.01 153.09 19.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.2 p -93.49 3.46 55.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.38 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.76 45.16 2.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.401 ' NH2' ' HB2' ' A' ' 71' ' ' PRO . 28.9 mmt-85 -146.24 145.79 30.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 110.267 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.583 ' CD2' ' HB2' ' A' ' 75' ' ' PRO . 0.4 OUTLIER 56.34 44.39 24.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 111.033 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.512 ' O ' ' CG2' ' A' ' 83' ' ' THR . 1.4 m -121.88 58.71 1.01 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 110.39 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 85' ' ' ILE . 37.4 p-10 177.36 66.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.412 ' C ' ' O ' ' A' ' 84' ' ' ASP . 7.2 mt -39.48 -47.98 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.257 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -41.05 -57.98 1.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -101.16 98.01 8.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 109.262 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER 173.82 -34.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.155 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -72.15 -46.82 54.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 110.295 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -74.75 -45.4 44.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 6.7 mm-40 -53.94 -20.75 6.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.345 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.582 ' CD1' ' HD2' ' A' ' 109' ' ' LYS . 0.1 OUTLIER -85.74 -25.23 26.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.446 ' CG2' ' OD2' ' A' ' 103' ' ' ASP . 1.0 OUTLIER -89.06 -30.49 18.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.427 1.08 . . . . 0.0 110.435 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.5 mmtt -76.67 -32.76 58.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.249 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.589 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.5 t60 -66.79 -58.54 4.85 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.019 -0.992 . . . . 0.0 109.75 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 41.5 m -56.45 -25.96 52.27 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.566 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.429 ' HA ' ' N ' ' A' ' 102' ' ' ALA . 1.6 m-80 -80.32 -12.3 59.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.89 7.67 12.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.589 HG13 ' CE1' ' A' ' 95' ' ' HIS . 47.3 mm -124.69 -45.59 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.255 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.466 HD22 ' CE1' ' A' ' 39' ' ' PHE . 47.1 mt -103.66 -28.69 11.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 104.78 10.51 32.6 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.435 1.085 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.429 ' N ' ' HA ' ' A' ' 97' ' ' ASN . . . -164.2 -174.24 3.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 0.746 . . . . 0.0 109.306 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.446 ' OD2' ' CG2' ' A' ' 93' ' ' THR . 13.4 t0 -88.26 124.57 34.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.227 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 14.5 m -54.13 164.19 0.68 Allowed 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.605 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' SER . . . . . 0.495 ' O ' ' HG3' ' A' ' 108' ' ' GLU . 23.2 t -76.9 144.11 71.97 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.982 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.402 ' HD2' ' OG ' ' A' ' 105' ' ' SER . 66.8 Cg_endo -64.29 -10.08 22.36 Favored 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.288 3.325 . . . . 0.0 109.643 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 63.1 p -100.42 -46.91 5.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.013 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.613 ' CD ' ' CZ ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -66.9 -8.46 29.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.582 ' HD2' ' CD1' ' A' ' 92' ' ' PHE . 2.3 tppp? -92.63 -64.48 1.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -47.04 -25.06 0.74 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.421 ' N ' ' C ' ' A' ' 109' ' ' LYS . 0.4 OUTLIER -73.53 -58.13 3.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.648 ' CE2' ' CD1' ' A' ' 116' ' ' LEU . 45.8 t80 -51.53 -43.26 62.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 111.023 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.444 HG23 ' CG2' ' A' ' 9' ' ' VAL . 1.8 mt -55.21 -34.28 32.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 117' ' ' LEU . . . -70.86 -65.86 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.582 ' CD2' ' O ' ' A' ' 31' ' ' GLY . 0.6 OUTLIER -44.37 -31.65 1.11 Allowed 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.863 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.648 ' CD1' ' CE2' ' A' ' 112' ' ' PHE . 16.9 mt -74.84 -42.2 58.42 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.476 ' O ' ' CD1' ' A' ' 117' ' ' LEU . 1.1 pp -92.07 28.61 1.82 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 2.4 m . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.428 179.955 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.482 ' O ' ' N ' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -105.02 -63.61 1.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.517 ' CB ' ' CD2' ' A' ' 117' ' ' LEU . . . -37.74 -52.31 1.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -43.85 -46.01 7.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 110.338 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 4' ' ' ASN . 0.0 OUTLIER -57.83 -55.18 38.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.414 ' N ' ' HD2' ' A' ' 7' ' ' LYS . 9.9 mt -47.62 -45.77 27.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.438 ' O ' ' CB ' ' A' ' 13' ' ' THR . 89.5 t -57.34 -52.18 60.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -74.13 -0.12 15.63 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.837 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.5 tptt -100.87 -72.04 0.69 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -53.52 -21.01 5.59 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.814 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.438 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 50.1 m -78.83 -50.49 11.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.442 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -58.72 -54.85 42.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.5 mt -49.18 -49.34 16.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.469 ' O ' ' ND2' ' A' ' 20' ' ' ASN . . . -56.52 -49.98 73.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.47 ' ND1' ' O ' ' A' ' 23' ' ' TYR . 9.8 t60 -61.92 -31.92 72.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.562 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 34.5 t -69.33 -12.26 61.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.117 . . . . 0.0 110.004 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -98.79 -39.29 8.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.496 ' N ' HD21 ' A' ' 20' ' ' ASN . 0.4 OUTLIER -144.89 134.29 11.38 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 0.0 109.311 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -82.37 52.69 4.2 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.289 3.326 . . . . 0.0 109.6 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 24.2 ptm -151.28 40.77 0.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.983 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.47 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 20.9 t80 -152.71 108.25 3.29 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.82 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -91.28 -48.15 7.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 110.278 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.447 ' CB ' ' CD ' ' A' ' 26' ' ' PRO . . . -156.37 175.02 3.45 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.447 ' CD ' ' CB ' ' A' ' 25' ' ' ALA . 7.0 Cg_exo -75.01 -170.09 0.73 Allowed 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.346 3.364 . . . . 0.0 109.573 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.0 t -137.9 160.8 38.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.003 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.3 pt -115.26 25.81 4.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 64.8 m -149.76 36.55 0.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.39 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 33' ' ' ILE . 7.8 t70 -145.62 -44.91 0.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.466 ' N ' HD22 ' A' ' 111' ' ' ASN . . . -47.89 -22.62 2.11 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.471 1.107 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.482 ' HB3' ' CZ ' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -72.94 -35.75 67.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 0.743 . . . . 0.0 109.268 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 30' ' ' ASP . 31.5 mt -71.3 -55.28 14.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -60.27 -13.33 12.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.52 ' CD1' ' CB ' ' A' ' 49' ' ' CYS . 89.2 t80 -112.33 4.52 17.71 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.095 . . . . 0.0 110.989 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.418 ' OD1' ' O ' ' A' ' 35' ' ' PHE . 73.7 m-20 -140.1 23.48 2.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.5 ttt85 -105.67 98.23 7.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.305 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.8 ttmt -51.61 95.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.245 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.556 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 26.2 p90 -99.12 164.73 12.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.75 148.39 26.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 67.1 p -104.61 154.04 38.76 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.398 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -67.4 -4.88 12.68 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.304 3.336 . . . . 0.0 109.572 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 p -106.36 27.01 9.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.142 . . . . 0.0 109.998 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.408 ' O ' ' HB2' ' A' ' 45' ' ' LYS . . . 46.3 79.54 0.06 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.491 1.119 . . . . 0.0 110.961 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 44' ' ' GLY . 0.6 OUTLIER 176.31 95.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 0.785 . . . . 0.0 109.291 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.21 154.85 2.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.272 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -165.36 176.48 8.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.363 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.556 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -154.99 154.56 32.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.52 ' CB ' ' CD1' ' A' ' 35' ' ' PHE . 58.7 m -66.83 -10.67 50.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 108.322 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.466 ' CB ' ' HA ' ' A' ' 55' ' ' ASN . . . -105.49 7.01 32.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 91.1 p -76.56 -31.01 57.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.414 1.071 . . . . 0.0 110.011 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 63.9 m -117.17 -45.55 2.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 108.3 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.514 ' O ' ' OG1' ' A' ' 54' ' ' THR . 67.4 m-70 -84.51 13.96 5.02 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.73 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.514 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 74.0 p 50.72 170.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 110.442 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.466 ' HA ' ' CB ' ' A' ' 50' ' ' ALA . 5.8 p30 -55.15 -21.64 14.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -130.3 125.05 21.6 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -72.17 -45.34 0.67 Allowed 'Trans proline' 0 N--CA 1.447 -1.245 0 C-N-CA 124.285 3.324 . . . . 0.0 109.625 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.411 ' HA ' ' CB ' ' A' ' 74' ' ' ALA . . . -55.48 -17.95 6.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -85.71 172.73 10.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.251 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 70.3 t -77.29 120.1 27.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 109.325 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 70' ' ' ILE . . . -90.4 -175.85 44.71 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.526 1.142 . . . . 0.0 111.051 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.3 ttmm -159.38 136.91 9.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.429 0.723 . . . . 0.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.438 ' ND2' ' CD1' ' A' ' 70' ' ' ILE . 86.5 m-20 -87.1 130.8 34.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.261 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.0 pt -84.76 8.14 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 53.4 t -89.8 -53.68 8.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.264 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 77.6 p -108.64 -31.76 7.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.343 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 78.77 37.15 27.05 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.515 1.134 . . . . 0.0 111.025 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.1 mmtt -84.26 -95.32 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 0.774 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -178.71 122.67 0.09 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.123 . . . . 0.0 110.317 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.438 ' CD1' ' ND2' ' A' ' 63' ' ' ASN . 3.1 mm -108.81 105.65 57.43 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -48.86 164.8 0.21 Allowed 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.333 3.355 . . . . 0.0 109.555 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -42.69 128.75 5.03 Favored 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.294 3.329 . . . . 0.0 109.616 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 75' ' ' PRO . 5.7 tp -85.06 -23.85 28.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 73' ' ' LEU . . . -37.17 97.4 0.13 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.584 ' HB3' ' CD1' ' A' ' 82' ' ' PHE . 21.6 Cg_exo -66.38 55.01 0.4 Allowed 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.333 3.355 . . . . 0.0 109.595 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 74' ' ' ALA . 3.4 ttt180 -169.72 -51.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.319 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 18.2 t -46.22 -42.15 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.478 ' N ' ' OD1' ' A' ' 78' ' ' ASN . 0.2 OUTLIER -97.17 146.33 25.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 19.7 p -80.14 -24.2 40.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.417 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp -93.03 46.37 1.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.117 . . . . 0.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 64.3 mmt-85 -146.27 142.72 28.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.278 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.584 ' CD1' ' HB3' ' A' ' 75' ' ' PRO . 0.8 OUTLIER 53.29 40.47 31.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 111.023 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.507 ' O ' ' CG2' ' A' ' 83' ' ' THR . 1.4 m -117.8 58.4 0.8 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.372 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 46.2 p-10 176.2 65.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.459 ' CG2' ' HE3' ' A' ' 7' ' ' LYS . 96.8 mt -41.25 -48.92 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -42.23 -56.7 2.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 11.6 tttt -102.55 92.99 4.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.31 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER 175.85 -35.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.45 -12.99 60.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.299 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -99.55 -48.57 4.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.258 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -55.72 -33.71 64.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.324 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.571 ' CD1' ' HD2' ' A' ' 109' ' ' LYS . 0.1 OUTLIER -66.35 -26.73 67.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 110.991 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.2 m -89.69 -34.76 16.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.406 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.04 -29.25 63.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.57 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.3 t60 -67.65 -58.11 5.24 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.802 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . 0.412 ' C ' ' O ' ' A' ' 102' ' ' ALA . 5.9 m -55.81 -23.82 32.56 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.588 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.467 ' HA ' ' N ' ' A' ' 102' ' ' ALA . 2.2 m-80 -80.38 -13.69 58.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -117.57 4.21 12.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.57 HG13 ' CE1' ' A' ' 95' ' ' HIS . 20.4 mm -119.05 -49.81 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 50.2 mt -100.41 -26.25 13.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 103.56 11.34 33.41 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.538 1.149 . . . . 0.0 111.024 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.467 ' N ' ' HA ' ' A' ' 97' ' ' ASN . . . -168.8 -174.84 2.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 0.767 . . . . 0.0 109.258 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -84.71 126.76 33.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 55.0 m -64.69 161.04 18.62 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 114.966 -1.016 . . . . 0.0 109.59 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' SER . . . . . 0.473 ' HB3' ' CG ' ' A' ' 108' ' ' GLU . 33.2 t -66.46 143.73 98.35 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.441 1.088 . . . . 0.0 110.008 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -60.06 -20.39 60.69 Favored 'Trans proline' 0 N--CA 1.447 -1.246 0 C-N-CA 124.332 3.354 . . . . 0.0 109.599 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 64.4 p -88.92 -43.12 11.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.958 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.473 ' CG ' ' HB3' ' A' ' 105' ' ' SER . 9.1 mm-40 -59.05 -15.61 14.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.571 ' HD2' ' CD1' ' A' ' 92' ' ' PHE . 2.4 tppt? -80.64 -65.11 1.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -53.17 -20.59 4.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.466 HD22 ' N ' ' A' ' 31' ' ' GLY . 0.6 OUTLIER -73.87 -37.2 64.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.582 ' CD2' HD13 ' A' ' 116' ' ' LEU . 40.5 t80 -79.45 -44.74 20.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.967 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.433 HG23 ' CG2' ' A' ' 9' ' ' VAL . 2.5 mt -54.95 -43.63 69.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 115' ' ' TYR . . . -60.26 -70.11 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.482 ' CZ ' ' HB3' ' A' ' 32' ' ' LYS . 1.5 t80 -38.02 -47.42 1.1 Allowed 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.807 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.582 HD13 ' CD2' ' A' ' 112' ' ' PHE . 27.5 mt -59.95 -64.75 0.84 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.517 ' CD2' ' CB ' ' A' ' 5' ' ' ALA . 59.2 mt -41.7 -37.56 1.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.382 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 48.6 m . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.502 ' HB3' ' CG1' ' A' ' 85' ' ' ILE . 0.6 OUTLIER -78.07 -47.41 18.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.01 -48.22 79.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -64.17 -34.96 79.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 110.328 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.8 tptp -63.93 -49.37 72.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.347 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.6 mt -52.31 -50.11 62.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.467 ' CG2' HG23 ' A' ' 113' ' ' ILE . 59.5 t -55.88 -56.51 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -63.88 -10.35 20.25 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.862 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.1 tptt -95.33 -73.81 0.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.435 ' CE1' ' HG2' ' A' ' 109' ' ' LYS . 73.9 m-85 -48.45 -23.72 1.04 Allowed 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.979 -1.009 . . . . 0.0 109.785 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.456 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 54.7 m -77.31 -53.05 8.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.108 . . . . 0.0 110.363 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.409 ' O ' ' N ' ' A' ' 18' ' ' SER . 2.3 t30 -56.58 -56.01 26.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.7 mt -47.59 -50.11 9.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.2 -46.97 87.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.27 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.463 ' ND1' ' O ' ' A' ' 23' ' ' TYR . 71.0 t60 -62.7 -31.5 72.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.656 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 14' ' ' ASN . 42.4 t -71.64 -18.47 62.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 110.055 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -100.53 -24.53 14.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.422 ' ND2' ' HG2' ' A' ' 22' ' ' MET . 0.1 OUTLIER -146.65 114.51 4.4 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -78.78 42.92 1.35 Allowed 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 124.291 3.328 . . . . 0.0 109.585 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.422 ' HG2' ' ND2' ' A' ' 20' ' ' ASN . 4.3 ptt? -145.45 34.33 1.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 111.027 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.463 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 63.3 t80 -153.67 111.4 3.53 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.001 -1.0 . . . . 0.0 109.818 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -91.64 -48.76 6.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.439 ' CB ' ' CD ' ' A' ' 26' ' ' PRO . . . -167.01 174.76 2.4 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.439 ' CD ' ' CB ' ' A' ' 25' ' ' ALA . 7.1 Cg_exo -74.8 -169.16 0.58 Allowed 'Trans proline' 0 N--CA 1.448 -1.193 0 C-N-CA 124.286 3.324 . . . . 0.0 109.569 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.98 22.65 0.57 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.015 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 37.8 pt 42.86 36.09 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.352 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.435 ' CG2' ' O ' ' A' ' 29' ' ' THR . 2.8 m -138.42 11.31 2.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.433 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.29 -33.34 5.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.596 ' O ' ' CD2' ' A' ' 115' ' ' TYR . . . -75.87 56.75 3.08 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.539 1.149 . . . . 0.0 110.96 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.77 -66.72 0.4 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 0.771 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 12.9 mt -63.34 -49.91 80.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.37 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.623 ' CE2' ' OE1' ' A' ' 108' ' ' GLU . 38.4 t80 -56.35 -20.31 18.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.53 ' CE2' ' HD3' ' A' ' 57' ' ' PRO . 86.6 t80 -109.14 5.91 24.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.944 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.41 ' OD1' ' O ' ' A' ' 35' ' ' PHE . 75.3 m-20 -140.21 23.23 2.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.25 105.1 15.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.315 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -57.64 93.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.571 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 24.5 p90 -98.17 163.59 12.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.4 tttm -107.89 142.56 37.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.5 p -97.52 153.97 38.14 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.43 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.417 ' CD ' ' O ' ' A' ' 100' ' ' LEU . 60.2 Cg_endo -64.22 -8.17 15.8 Favored 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.271 3.314 . . . . 0.0 109.621 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.8 p -103.17 34.31 2.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.967 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 40.17 79.2 0.05 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.509 1.13 . . . . 0.0 110.993 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.7 tttm 178.44 105.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.771 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.76 152.63 35.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.42 1.075 . . . . 0.0 110.309 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -164.23 178.98 7.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.571 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -158.03 155.26 29.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.56 ' O ' ' HB2' ' A' ' 53' ' ' HIS . 60.8 m -68.91 -10.35 56.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 108.28 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.43 ' CB ' ' HA ' ' A' ' 55' ' ' ASN . . . -106.61 8.72 31.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.2 p -75.79 -37.26 59.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.005 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 28.6 m -113.13 -42.54 3.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 108.303 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.56 ' HB2' ' O ' ' A' ' 49' ' ' CYS . 66.6 m-70 -84.56 12.52 6.88 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.745 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.52 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 41.1 p 50.36 171.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.374 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.43 ' HA ' ' CB ' ' A' ' 50' ' ' ALA . 5.4 p30 -52.32 -21.56 3.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -136.31 126.83 16.48 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.332 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.53 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 63.4 Cg_endo -70.29 -44.23 1.82 Allowed 'Trans proline' 0 N--CA 1.447 -1.255 0 C-N-CA 124.35 3.367 . . . . 0.0 109.59 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.75 -18.8 3.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.271 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -87.11 175.7 7.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 109.338 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 77.5 t -75.92 127.85 37.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -100.64 -174.45 29.57 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.476 1.11 . . . . 0.0 110.962 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -163.25 135.7 5.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.758 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.417 ' ND2' HD12 ' A' ' 70' ' ' ILE . 90.1 m-20 -83.9 129.97 34.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 6.8 pt -84.35 6.21 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 60.5 t -87.6 -55.61 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 50.0 p -106.39 -33.78 7.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.396 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 81.88 36.07 19.93 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.469 1.106 . . . . 0.0 110.982 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.1 mmtt -81.98 -95.78 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 0.758 . . . . 0.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -178.85 123.92 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 110.294 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.417 HD12 ' ND2' ' A' ' 63' ' ' ASN . 2.7 mm -113.86 101.49 53.92 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -49.83 167.38 0.2 Allowed 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.337 3.358 . . . . 0.0 109.583 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_exo -37.58 135.31 0.49 Allowed 'Trans proline' 0 N--CA 1.447 -1.246 0 C-N-CA 124.275 3.317 . . . . 0.0 109.62 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 75' ' ' PRO . 11.6 tp -91.61 -21.62 20.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 73' ' ' LEU . . . -36.8 98.5 0.16 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.584 ' HB3' ' CD1' ' A' ' 82' ' ' PHE . 34.3 Cg_exo -61.27 -11.81 20.82 Favored 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.273 3.315 . . . . 0.0 109.621 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.417 ' NH1' HD11 ' A' ' 117' ' ' LEU . 7.0 ttm180 -101.07 -47.96 4.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 37.4 t -49.14 -42.45 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.46 ' N ' ' OD1' ' A' ' 78' ' ' ASN . 0.2 OUTLIER -107.54 115.75 30.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.125 . . . . 0.0 109.333 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.17 -10.7 24.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 110.407 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.4 mtpt -101.08 35.93 2.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.262 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.604 ' O ' ' CD1' ' A' ' 82' ' ' PHE . 0.8 OUTLIER -147.01 43.06 1.14 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 110.343 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.604 ' CD1' ' O ' ' A' ' 81' ' ' ARG . 0.3 OUTLIER 162.05 39.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 111.034 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 64.2 m -111.85 49.91 0.87 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.36 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 63.7 t0 177.45 71.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.502 ' CG1' ' HB3' ' A' ' 4' ' ' ASN . 20.7 mt -40.36 -45.29 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -49.47 -54.17 19.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -93.04 81.98 4.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER 178.65 -36.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.12 -37.72 53.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 110.269 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -75.32 -45.54 38.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -57.41 -35.06 69.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 0.0 110.304 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.554 ' CG ' ' HD2' ' A' ' 109' ' ' LYS . 0.1 OUTLIER -66.5 -22.98 66.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 111.003 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.472 ' CG2' ' OD2' ' A' ' 103' ' ' ASP . 1.2 m -90.0 -38.11 13.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.37 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.6 mmmt -71.15 -30.36 66.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.517 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.4 t60 -68.22 -60.0 2.8 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 114.955 -1.021 . . . . 0.0 109.771 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 102' ' ' ALA . 10.7 m -55.21 -21.8 15.32 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.574 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -85.69 -11.39 53.86 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -119.05 9.77 11.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.423 1.077 . . . . 0.0 109.265 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.517 HG13 ' CE1' ' A' ' 95' ' ' HIS . 48.8 mm -126.53 -46.69 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.417 ' O ' ' CD ' ' A' ' 42' ' ' PRO . 70.5 mt -101.95 -32.37 10.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 107.72 13.53 20.04 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.547 1.154 . . . . 0.0 110.966 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 96' ' ' CYS . . . -166.04 -173.17 2.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 0.762 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.472 ' OD2' ' CG2' ' A' ' 93' ' ' THR . 6.0 t0 -91.71 124.7 36.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 35.8 m -59.44 162.95 4.39 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.585 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' SER . . . . . 0.472 ' O ' ' HG3' ' A' ' 108' ' ' GLU . 80.8 p -74.51 149.92 86.62 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.991 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -65.92 -8.29 19.38 Favored 'Trans proline' 0 N--CA 1.448 -1.177 0 C-N-CA 124.262 3.308 . . . . 0.0 109.597 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 64.6 p -92.97 -44.26 8.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.022 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.623 ' OE1' ' CE2' ' A' ' 34' ' ' PHE . 1.0 OUTLIER -65.69 -27.12 68.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.554 ' HD2' ' CG ' ' A' ' 92' ' ' PHE . 0.3 OUTLIER -63.69 -60.05 3.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -55.72 -36.57 67.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' A' ' 114' ' ' ALA . 7.1 t-20 -56.82 -68.52 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.567 ' CZ ' HD22 ' A' ' 116' ' ' LEU . 52.2 t80 -44.16 -44.75 7.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.489 ' O ' ' CD2' ' A' ' 117' ' ' LEU . 1.6 mt -55.41 -37.25 44.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.256 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 117' ' ' LEU . . . -65.47 -74.26 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.596 ' CD2' ' O ' ' A' ' 31' ' ' GLY . 0.2 OUTLIER -40.72 -44.64 2.24 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.841 -179.89 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.567 HD22 ' CZ ' ' A' ' 112' ' ' PHE . 3.5 mm? -61.4 -44.97 96.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.501 ' O ' ' CD1' ' A' ' 117' ' ' LEU . 1.0 OUTLIER -91.78 33.59 1.03 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.404 179.968 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.2 m . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.523 ' N ' ' ND2' ' A' ' 4' ' ' ASN . 0.3 OUTLIER -80.14 -48.95 12.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.412 ' HB1' ' CD2' ' A' ' 117' ' ' LEU . . . -48.92 -49.32 40.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 -66.52 -30.45 70.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.297 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.464 ' C ' ' CD ' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -70.36 -46.36 64.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.3 mt -55.88 -46.7 78.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.461 ' O ' ' CB ' ' A' ' 13' ' ' THR . 91.5 t -56.94 -55.62 19.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -67.52 -6.09 18.16 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.855 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.406 ' CG ' ' HD3' ' A' ' 7' ' ' LYS . 1.3 mmtm -97.13 -73.67 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -50.81 -21.72 1.81 Allowed 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.823 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.461 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 22.0 m -75.56 -47.09 28.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.388 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -61.22 -52.5 64.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.7 mt -52.64 -44.24 45.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.248 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.29 -38.53 87.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 0.0 109.306 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.46 ' ND1' ' O ' ' A' ' 23' ' ' TYR . 12.2 t60 -74.67 -29.65 61.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.14 . . . . 0.0 109.561 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 45.3 t -70.21 -6.32 33.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.999 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -114.86 -43.18 3.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 62.2 t-20 -126.65 118.95 22.78 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -78.87 38.81 0.74 Allowed 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.273 3.315 . . . . 0.0 109.62 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -141.26 34.22 1.7 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 111.002 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.46 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 14.2 t80 -139.61 108.62 6.02 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.811 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -96.61 -48.02 5.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -164.13 153.77 12.34 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -51.33 176.14 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.363 3.375 . . . . 0.0 109.621 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.1 20.58 2.1 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 0.0 110.046 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 32.5 pt 40.8 47.65 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.243 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 30' ' ' ASP . 93.5 m -127.51 -70.39 0.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 110.414 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.3 OUTLIER -39.9 -33.29 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.583 ' O ' ' CD2' ' A' ' 115' ' ' TYR . . . -76.17 58.55 3.19 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.544 1.153 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.444 ' HG2' ' CZ ' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -157.69 -63.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 0.78 . . . . 0.0 109.348 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 43.7 mt -72.32 -47.78 51.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.595 ' CD1' ' OE1' ' A' ' 108' ' ' GLU . 25.3 t80 -55.34 -21.77 16.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 111.007 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.579 ' CD1' ' HB2' ' A' ' 49' ' ' CYS . 87.8 t80 -106.9 8.94 30.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 111.036 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -145.86 26.73 1.23 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 39' ' ' PHE . 2.6 tpm_? -108.03 97.47 7.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.277 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -49.31 94.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.581 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 24.7 p90 -100.79 164.17 11.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -104.97 148.79 26.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 23.6 p -106.44 153.18 40.66 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.353 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -69.89 -4.08 13.4 Favored 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.298 3.332 . . . . 0.0 109.563 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.492 ' OG ' ' CE ' ' A' ' 45' ' ' LYS . 23.6 p -87.46 -11.37 49.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.972 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.456 ' O ' ' CD ' ' A' ' 45' ' ' LYS . . . 91.35 67.95 1.16 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.471 1.107 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.492 ' CE ' ' OG ' ' A' ' 43' ' ' SER . 0.0 OUTLIER 172.41 146.19 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 0.723 . . . . 0.0 109.266 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.7 154.27 19.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.346 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -158.44 -169.23 2.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.581 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -169.71 154.13 5.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.254 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.579 ' HB2' ' CD1' ' A' ' 35' ' ' PHE . 29.8 m -70.56 -9.0 55.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 108.317 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.471 ' O ' ' HA ' ' A' ' 54' ' ' THR . . . -105.03 2.76 29.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.414 ' HB2' ' O ' ' A' ' 48' ' ' ALA . 0.3 OUTLIER -82.33 -17.39 45.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.005 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 64.8 m -124.97 -46.07 1.85 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 108.325 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.499 ' O ' ' OG1' ' A' ' 54' ' ' THR . 66.6 m-70 -91.96 17.23 9.57 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.034 -0.985 . . . . 0.0 109.741 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.499 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 45.2 p 49.75 172.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.411 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -53.59 -23.96 12.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.346 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 19.1 t30 -131.6 123.96 19.69 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.359 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.509 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 57.7 Cg_endo -69.66 -36.86 10.27 Favored 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.341 3.361 . . . . 0.0 109.603 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.57 -13.15 19.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -93.11 174.34 7.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.7 t -75.43 121.81 27.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.352 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -91.69 -174.63 42.92 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.2 ttmt -160.35 133.42 6.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 0.764 . . . . 0.0 109.306 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.45 ' ND2' ' CD1' ' A' ' 70' ' ' ILE . 83.2 m-20 -85.86 129.99 34.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 6.6 pt -83.93 5.91 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 0.0 109.27 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 79.4 t -86.22 -55.02 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 71.9 p -109.09 -34.98 6.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.571 1.17 . . . . 0.0 110.389 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 82.05 35.86 20.03 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.5 mmtm -81.65 -93.99 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 0.769 . . . . 0.0 109.306 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -178.51 122.46 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 110.284 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.45 ' CD1' ' ND2' ' A' ' 63' ' ' ASN . 3.0 mm -107.18 106.85 59.43 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -50.31 165.84 0.34 Allowed 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 124.323 3.349 . . . . 0.0 109.605 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.446 ' O ' ' ND2' ' A' ' 78' ' ' ASN . 1.6 Cg_endo -42.68 125.56 3.85 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.328 3.352 . . . . 0.0 109.576 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 75' ' ' PRO . 8.5 tp -76.96 -29.84 55.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.452 ' CB ' ' HB ' ' A' ' 77' ' ' VAL . . . -39.12 99.6 0.2 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.583 ' HB3' ' CD1' ' A' ' 82' ' ' PHE . 24.8 Cg_exo -63.12 -14.72 43.45 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.289 3.326 . . . . 0.0 109.573 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -97.76 -44.79 6.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 110.292 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.452 ' HB ' ' CB ' ' A' ' 74' ' ' ALA . 24.2 t -53.73 -41.3 46.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 72' ' ' PRO . 0.4 OUTLIER -95.07 136.54 35.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.6 p -84.06 -5.97 59.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.362 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.09 40.52 1.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.468 ' CB ' ' HA ' ' A' ' 75' ' ' PRO . 48.2 mmt-85 -142.57 168.2 20.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.263 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.583 ' CD1' ' HB3' ' A' ' 75' ' ' PRO . 2.9 m-30 37.88 53.77 1.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.988 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 90.8 m -100.89 -60.89 1.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.395 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -86.86 106.62 17.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.478 ' CG1' ' HB3' ' A' ' 4' ' ' ASN . 8.6 mt -64.94 -56.09 17.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -40.04 -48.15 2.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.1 mttp -94.18 78.78 4.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER 175.68 -34.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' A' ' 90' ' ' ASP . 0.2 OUTLIER -66.15 -29.76 70.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.4 ' N ' ' HG3' ' A' ' 89' ' ' GLU . 4.1 m-20 -93.95 -44.75 7.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.446 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 3.5 mm-40 -52.93 -19.83 2.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.09 . . . . 0.0 110.323 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.15 -26.29 28.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.949 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.1 m -88.9 -37.17 15.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 0.0 110.429 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.77 -28.61 66.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.567 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.4 t60 -67.64 -59.09 3.62 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 115.01 -0.996 . . . . 0.0 109.786 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . 0.417 ' C ' ' O ' ' A' ' 102' ' ' ALA . 4.0 m -56.77 -23.89 46.28 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.558 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.435 ' HA ' ' N ' ' A' ' 102' ' ' ALA . 1.9 m-80 -81.16 -13.0 59.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -117.38 4.81 12.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.567 HG13 ' CE1' ' A' ' 95' ' ' HIS . 37.3 mm -121.11 -48.2 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 42.4 mt -101.03 -25.83 13.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 0.0 109.328 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 100.66 12.05 39.05 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.507 1.13 . . . . 0.0 110.987 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.435 ' N ' ' HA ' ' A' ' 97' ' ' ASN . . . -163.9 -171.25 2.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 0.774 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -93.42 124.18 37.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 55.6 m -63.35 161.61 13.75 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.57 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' SER . . . . . 0.501 ' OG ' ' CG ' ' A' ' 108' ' ' GLU . 60.3 p -75.45 145.8 79.95 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 110.0 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -61.35 -12.29 23.22 Favored 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.283 3.322 . . . . 0.0 109.583 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 59.6 p -90.53 -45.19 9.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.042 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.595 ' OE1' ' CD1' ' A' ' 34' ' ' PHE . 3.4 mm-40 -62.29 -16.94 57.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.312 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.454 ' C ' ' N ' ' A' ' 111' ' ' ASN . 3.6 mttp -91.97 -64.19 1.14 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.265 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -42.53 -27.22 0.15 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.454 ' N ' ' C ' ' A' ' 109' ' ' LYS . 0.3 OUTLIER -81.07 -59.17 2.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.576 ' CE2' HD23 ' A' ' 116' ' ' LEU . 86.2 t80 -41.13 -46.78 3.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.441 ' O ' ' HG ' ' A' ' 117' ' ' LEU . 2.0 mt -56.85 -46.61 83.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -51.63 -68.17 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.269 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.583 ' CD2' ' O ' ' A' ' 31' ' ' GLY . 0.4 OUTLIER -47.38 -27.75 1.78 Allowed 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.852 -179.921 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.576 HD23 ' CE2' ' A' ' 112' ' ' PHE . 1.2 tp -77.28 -40.03 45.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 113' ' ' ILE . 7.2 mt -66.54 -37.45 85.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.39 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.0 m . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.5 ' HB3' ' CG1' ' A' ' 85' ' ' ILE . 0.2 OUTLIER -81.69 -49.62 10.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.313 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -48.13 -46.83 34.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.4 ' OE2' ' O ' ' A' ' 6' ' ' GLU . 7.4 tp10 -53.6 -44.36 69.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.269 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.26 -56.32 23.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.3 mt -45.68 -47.25 15.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.465 ' CG2' HG23 ' A' ' 113' ' ' ILE . 58.1 t -58.5 -51.56 70.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -71.89 -2.18 16.98 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.84 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.7 tptt -101.28 -73.23 0.65 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.455 ' CB ' ' HB3' ' A' ' 110' ' ' ALA . 82.2 m-85 -50.64 -22.15 1.91 Allowed 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 114.961 -1.018 . . . . 0.0 109.845 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.504 ' CG2' ' O ' ' A' ' 24' ' ' GLU . 27.9 m -76.3 -47.04 25.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.426 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -60.59 -53.34 58.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.9 mt -50.39 -50.67 20.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.21 -53.42 56.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.266 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -58.91 -32.65 69.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.566 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 36.0 t -72.31 -12.77 61.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 110.009 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -108.14 -39.88 5.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.25 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 42.7 m-20 -135.66 94.66 14.81 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.327 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -50.43 -20.59 6.19 Favored 'Trans proline' 0 N--CA 1.447 -1.214 0 C-N-CA 124.349 3.366 . . . . 0.0 109.567 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.42 ' HG3' ' N ' ' A' ' 23' ' ' TYR . 8.0 ptm -70.34 -24.74 63.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.094 . . . . 0.0 111.027 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.42 ' N ' ' HG3' ' A' ' 22' ' ' MET . 46.4 t80 -95.8 123.57 39.44 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.811 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.504 ' O ' ' CG2' ' A' ' 13' ' ' THR . 2.9 mm-40 -116.01 -42.83 3.03 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 110.284 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.441 ' CB ' ' CD ' ' A' ' 26' ' ' PRO . . . -161.67 174.48 3.72 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.441 ' CD ' ' CB ' ' A' ' 25' ' ' ALA . 6.7 Cg_exo -75.3 -179.81 5.41 Favored 'Trans proline' 0 N--CA 1.447 -1.257 0 C-N-CA 124.33 3.353 . . . . 0.0 109.631 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.4 13.41 2.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.006 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.404 ' O ' ' OG1' ' A' ' 29' ' ' THR . 32.0 pt 41.98 50.32 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.35 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.481 ' CG2' ' O ' ' A' ' 29' ' ' THR . 3.9 m -162.56 37.44 0.11 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 110.379 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -143.26 -49.27 0.32 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.474 ' O ' ' N ' ' A' ' 35' ' ' PHE . . . -42.64 -49.29 5.94 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.449 1.093 . . . . 0.0 111.016 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.407 ' O ' ' N ' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -47.39 -72.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 0.754 . . . . 0.0 109.321 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.9 mt -50.01 -44.09 21.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -64.91 -14.18 59.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 111.018 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.544 ' CD1' ' CB ' ' A' ' 49' ' ' CYS . 76.9 t80 -110.92 6.75 21.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.961 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -140.28 23.04 2.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -95.77 103.48 15.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -58.04 87.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.571 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 19.1 p90 -100.51 154.77 18.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.148 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.9 tttm -104.52 139.74 38.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 109.315 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 58.6 p -82.37 153.66 68.7 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.406 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -64.27 -7.6 14.36 Favored 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 124.268 3.312 . . . . 0.0 109.637 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.0 p -101.78 29.66 4.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.026 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.405 ' O ' ' HB2' ' A' ' 45' ' ' LYS . . . 51.45 77.82 0.12 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 44' ' ' GLY . 13.3 ttpp -176.6 134.81 0.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 0.751 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.471 ' CD ' ' N ' ' A' ' 47' ' ' ALA . 4.4 tm-20 -87.96 135.7 33.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.43 1.081 . . . . 0.0 110.27 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.471 ' N ' ' CD ' ' A' ' 46' ' ' GLU . . . -151.75 176.35 11.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.571 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -162.02 152.91 17.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.544 ' CB ' ' CD1' ' A' ' 35' ' ' PHE . 49.2 m -63.6 -13.27 40.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.077 . . . . 0.0 108.277 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.44 ' O ' ' HA ' ' A' ' 54' ' ' THR . . . -102.08 5.94 40.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 80.6 p -79.39 -29.3 42.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.044 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 92.6 m -117.78 -48.32 2.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 108.287 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.537 ' O ' ' OG1' ' A' ' 54' ' ' THR . 85.7 m-70 -83.23 12.83 4.76 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.739 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.537 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 57.2 p 51.02 170.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.356 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.406 ' HA ' ' CB ' ' A' ' 50' ' ' ALA . 9.6 p30 -51.36 -25.44 6.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.244 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -130.64 125.95 21.72 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.541 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 73.6 Cg_endo -71.2 -39.43 3.95 Favored 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.313 3.342 . . . . 0.0 109.575 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.445 ' HA ' ' CB ' ' A' ' 74' ' ' ALA . . . -58.71 -15.84 13.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -90.09 173.44 8.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 78.8 t -75.92 130.18 36.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.105 . . . . 0.0 109.341 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -101.7 -174.48 28.2 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.532 1.145 . . . . 0.0 111.012 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.0 tttm -160.57 136.06 8.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 0.754 . . . . 0.0 109.299 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.43 ' ND2' HD12 ' A' ' 70' ' ' ILE . 87.5 m-20 -85.08 127.16 34.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.9 pt -82.82 5.58 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 74.6 t -86.29 -52.94 11.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 75.4 p -109.76 -33.69 6.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.391 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 81.21 35.88 22.57 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.538 1.149 . . . . 0.0 111.018 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 45.6 mttt -82.28 -94.87 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 0.782 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -179.07 124.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 110.299 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.43 HD12 ' ND2' ' A' ' 63' ' ' ASN . 2.8 mm -110.05 102.92 52.41 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.408 ' HB3' ' HD2' ' A' ' 72' ' ' PRO . 76.8 Cg_exo -52.67 167.36 0.62 Allowed 'Trans proline' 0 N--CA 1.447 -1.264 0 C-N-CA 124.294 3.329 . . . . 0.0 109.62 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.408 ' HD2' ' HB3' ' A' ' 71' ' ' PRO . 1.2 Cg_endo -42.47 128.16 4.58 Favored 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.298 3.332 . . . . 0.0 109.601 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.51 ' CD2' ' CE1' ' A' ' 53' ' ' HIS . 5.8 tp -98.7 -22.94 15.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.445 ' CB ' ' HA ' ' A' ' 58' ' ' ALA . . . -36.91 98.59 0.16 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.578 ' HB3' ' CD1' ' A' ' 82' ' ' PHE . 17.4 Cg_exo -66.48 55.7 0.43 Allowed 'Trans proline' 0 N--CA 1.447 -1.214 0 C-N-CA 124.294 3.329 . . . . 0.0 109.613 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 -170.14 -52.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 110.321 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 20.1 t -49.94 -40.11 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.474 ' N ' ' OD1' ' A' ' 78' ' ' ASN . 0.2 OUTLIER -99.88 144.83 28.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.283 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 20.3 p -86.55 2.25 48.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.414 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.3 mtmp? -112.86 41.85 1.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 62.2 mmt-85 -144.87 156.06 43.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.125 . . . . 0.0 110.23 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.578 ' CD1' ' HB3' ' A' ' 75' ' ' PRO . 0.9 OUTLIER 47.59 41.35 13.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 111.035 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 40.5 m -116.63 47.32 1.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 110.401 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -174.99 67.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.5 ' CG1' ' HB3' ' A' ' 4' ' ' ASN . 90.9 mt -41.08 -50.32 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 85' ' ' ILE . 8.7 m-20 -39.1 -57.57 1.27 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.47 95.73 6.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER 174.17 -34.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -68.3 -56.1 9.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.336 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -67.58 -45.31 75.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.422 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 4.4 mm-40 -52.49 -19.41 2.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.272 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.572 ' CD1' ' HD2' ' A' ' 109' ' ' LYS . 0.1 OUTLIER -86.71 -26.25 24.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.434 ' CG2' ' OD2' ' A' ' 103' ' ' ASP . 1.0 OUTLIER -88.85 -37.42 15.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.406 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 39.6 mmtt -68.48 -32.05 71.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.58 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.2 t60 -66.25 -59.96 3.24 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.759 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . 0.433 ' C ' ' O ' ' A' ' 102' ' ' ALA . 10.0 m -54.83 -23.53 18.77 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.556 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.463 ' HA ' ' N ' ' A' ' 102' ' ' ALA . 1.6 m-80 -80.84 -12.67 59.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -116.49 3.84 13.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.58 HG13 ' CE1' ' A' ' 95' ' ' HIS . 39.3 mm -119.18 -51.24 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 75.1 mt -99.38 -22.66 15.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 99.24 10.16 49.18 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.463 ' N ' ' HA ' ' A' ' 97' ' ' ASN . . . -164.33 -177.31 4.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 0.75 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.434 ' OD2' ' CG2' ' A' ' 93' ' ' THR . 21.7 t0 -86.01 127.09 34.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.082 . . . . 0.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 48.4 m -62.17 161.85 10.48 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.944 -1.026 . . . . 0.0 109.614 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 27.8 t -71.01 141.93 87.16 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.959 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -59.5 -19.31 51.35 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.289 3.326 . . . . 0.0 109.587 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 77.8 p -86.75 -38.68 16.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.984 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -71.81 -6.26 40.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.138 . . . . 0.0 110.302 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.572 ' HD2' ' CD1' ' A' ' 92' ' ' PHE . 0.8 OUTLIER -88.3 -63.58 1.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.17 . . . . 0.0 109.301 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.455 ' HB3' ' CB ' ' A' ' 12' ' ' TYR . . . -54.89 -27.09 40.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -67.53 -50.65 57.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.588 ' CE2' HD23 ' A' ' 116' ' ' LEU . 39.5 t80 -63.04 -45.61 91.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.465 HG23 ' CG2' ' A' ' 9' ' ' VAL . 2.0 mt -54.2 -41.54 52.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 117' ' ' LEU . . . -63.86 -65.2 0.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -45.24 -37.7 4.88 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.81 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.588 HD23 ' CE2' ' A' ' 112' ' ' PHE . 1.0 OUTLIER -71.87 -37.15 70.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.486 ' O ' ' CD1' ' A' ' 117' ' ' LEU . 0.9 OUTLIER -91.4 20.65 5.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 53.9 m . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.387 -179.965 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 51.8 m . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.538 ' N ' ' ND2' ' A' ' 4' ' ' ASN . 0.2 OUTLIER -81.16 -49.55 10.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.411 ' HB1' ' NH2' ' A' ' 76' ' ' ARG . . . -53.55 -47.03 70.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -51.89 -54.31 30.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.304 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 11' ' ' LYS . 1.5 mmtm -51.22 -52.36 45.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.5 mt -47.42 -49.06 25.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.459 ' O ' ' CB ' ' A' ' 13' ' ' THR . 93.4 t -62.93 -50.98 77.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -64.26 -11.5 32.12 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 114.942 -1.026 . . . . 0.0 109.817 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 7' ' ' LYS . 0.5 OUTLIER -98.4 -73.33 0.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -45.76 -24.24 0.35 Allowed 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.825 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.459 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 56.0 m -78.6 -52.02 9.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.357 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -57.91 -54.8 42.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 109.302 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.8 mt -48.09 -49.33 11.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.457 ' O ' ' ND2' ' A' ' 20' ' ' ASN . . . -60.19 -50.4 73.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.459 ' ND1' ' O ' ' A' ' 23' ' ' TYR . 66.8 t60 -58.37 -29.21 65.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.552 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.8 t -71.5 -23.21 61.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 1.166 . . . . 0.0 110.016 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -89.39 -26.59 20.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 16' ' ' ALA . 0.2 OUTLIER -153.41 126.39 4.11 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -82.98 43.79 1.55 Allowed 'Trans proline' 0 N--CA 1.447 -1.209 0 C-N-CA 124.321 3.347 . . . . 0.0 109.627 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.437 ' CG ' ' OD1' ' A' ' 20' ' ' ASN . 3.0 ptt? -144.35 34.53 1.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 111.008 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.459 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 74.1 t80 -154.82 109.29 2.98 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.858 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.423 ' O ' ' CG2' ' A' ' 13' ' ' THR . 3.0 mm-40 -91.17 -48.99 6.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.32 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.462 ' CB ' ' CD ' ' A' ' 26' ' ' PRO . . . -165.79 175.29 2.43 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.462 ' CD ' ' CB ' ' A' ' 25' ' ' ALA . 11.7 Cg_exo -72.83 -172.28 0.93 Allowed 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 124.307 3.338 . . . . 0.0 109.593 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.495 ' O ' ' CG1' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -146.6 18.51 1.32 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.434 1.084 . . . . 0.0 110.009 -179.916 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.495 ' CG1' ' O ' ' A' ' 27' ' ' SER . 47.4 pt 48.1 32.52 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 67.6 m -136.04 9.74 3.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.402 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -114.66 -35.01 5.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.9 53.54 3.73 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.5 1.125 . . . . 0.0 111.043 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.447 ' HG2' ' CZ ' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -134.65 -65.58 0.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 0.733 . . . . 0.0 109.322 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.405 ' O ' ' N ' ' A' ' 37' ' ' ARG . 60.1 mt -67.81 -44.36 85.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -54.4 -22.62 12.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.994 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.577 ' CD1' ' CB ' ' A' ' 49' ' ' CYS . 88.1 t80 -108.02 6.15 26.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.414 ' OD1' ' O ' ' A' ' 35' ' ' PHE . 83.5 m-20 -142.35 25.28 1.89 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 39' ' ' PHE . 15.5 ttp85 -103.83 94.46 5.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.342 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.414 ' CG ' ' HG2' ' A' ' 46' ' ' GLU . 21.2 ttmm -47.82 94.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.567 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 32.1 p90 -103.38 160.78 14.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.13 133.68 51.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.345 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 46.9 p -78.58 153.92 78.67 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 110.365 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.452 ' CG ' ' HA2' ' A' ' 101' ' ' GLY . 73.2 Cg_endo -66.28 -5.21 12.03 Favored 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 124.327 3.351 . . . . 0.0 109.576 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.8 p -101.21 12.66 37.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.996 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.87 77.03 0.42 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.0 tttm -176.19 135.78 0.27 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 0.755 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.414 ' HG2' ' CG ' ' A' ' 38' ' ' LYS . 3.5 tt0 -90.59 125.14 35.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 110.345 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.78 177.88 7.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.567 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -159.85 152.03 20.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.577 ' CB ' ' CD1' ' A' ' 35' ' ' PHE . 55.9 m -64.38 -11.98 38.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 108.258 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.442 ' CB ' ' HA ' ' A' ' 55' ' ' ASN . . . -104.39 7.45 35.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.413 ' OG ' ' O ' ' A' ' 48' ' ' ALA . 95.5 p -78.19 -31.43 49.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.003 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 64.1 m -116.91 -45.34 2.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 108.347 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.526 ' O ' ' OG1' ' A' ' 54' ' ' THR . 72.7 m-70 -84.71 13.46 5.73 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 114.955 -1.021 . . . . 0.0 109.75 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.526 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 60.7 p 50.71 170.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 110.383 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.442 ' HA ' ' CB ' ' A' ' 50' ' ' ALA . 9.4 p30 -53.32 -24.58 12.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.254 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 14.0 t30 -130.7 124.23 20.72 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.438 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 58.4 Cg_endo -70.38 -37.94 7.06 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.327 3.351 . . . . 0.0 109.551 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.84 -14.11 19.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -91.04 173.08 8.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 109.359 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 53.4 t -76.6 123.58 33.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 70' ' ' ILE . . . -95.01 -175.94 37.93 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.495 1.122 . . . . 0.0 111.026 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.4 tttm -159.94 134.62 7.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 0.755 . . . . 0.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.425 ' ND2' ' CD1' ' A' ' 70' ' ' ILE . 87.5 m-20 -84.32 130.84 34.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.346 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 6.4 pt -85.97 8.69 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.335 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 53.8 t -90.75 -53.68 8.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 75.2 p -108.9 -34.25 6.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.394 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 81.94 33.83 25.86 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.503 1.127 . . . . 0.0 110.968 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.41 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 1.5 mmmt -79.13 -94.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.41 ' HB3' ' O ' ' A' ' 68' ' ' LYS . 9.6 pt-20 -179.59 124.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.259 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.435 ' O ' ' N ' ' A' ' 61' ' ' GLY . 2.5 mm -113.58 94.63 33.19 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -47.4 166.16 0.1 Allowed 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.337 3.358 . . . . 0.0 109.584 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_exo -37.51 135.4 0.47 Allowed 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.338 3.359 . . . . 0.0 109.545 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 75' ' ' PRO . 5.0 tp -97.32 -24.87 15.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.341 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 76' ' ' ARG . . . -38.45 98.85 0.18 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.591 ' HB3' ' CD1' ' A' ' 82' ' ' PHE . 19.1 Cg_exo -65.78 55.01 0.34 Allowed 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.3 3.333 . . . . 0.0 109.611 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.449 ' CZ ' ' HB2' ' A' ' 117' ' ' LEU . 10.1 ttm180 -166.25 -52.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.0 t -45.38 -41.98 3.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.471 ' N ' ' OD1' ' A' ' 78' ' ' ASN . 0.3 OUTLIER -96.17 153.69 17.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.6 p -82.61 -41.25 19.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.406 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.36 51.28 1.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 53.5 mmt-85 -147.6 135.77 21.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.326 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.591 ' CD1' ' HB3' ' A' ' 75' ' ' PRO . 0.5 OUTLIER 58.6 59.28 2.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 111.018 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 59.0 m -103.76 -61.53 1.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.375 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -87.6 111.8 21.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.465 ' CG1' ' HB3' ' A' ' 4' ' ' ASN . 81.3 mt -68.45 -46.82 79.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 85' ' ' ILE . 22.9 t70 -40.27 -59.93 1.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -88.55 83.49 6.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER 175.92 -33.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.25 -53.23 20.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.357 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.451 ' OD1' ' NZ ' ' A' ' 94' ' ' LYS . 27.1 t70 -66.19 -46.22 78.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.422 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 3.6 mm-40 -55.65 -18.21 7.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.316 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.551 ' CG ' ' HD2' ' A' ' 109' ' ' LYS . 0.1 OUTLIER -84.35 -30.47 25.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 111.0 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.1 m -85.7 -35.51 20.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.424 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.451 ' NZ ' ' OD1' ' A' ' 90' ' ' ASP . 5.7 mmtm -69.14 -30.07 68.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.557 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.4 t60 -67.11 -59.43 3.46 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 115.079 -0.964 . . . . 0.0 109.755 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . 0.438 ' C ' ' O ' ' A' ' 102' ' ' ALA . 16.1 m -54.91 -25.81 31.74 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.559 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.445 ' HA ' ' N ' ' A' ' 102' ' ' ALA . 1.8 m-20 -79.85 -12.73 59.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -116.53 2.61 13.09 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.475 1.11 . . . . 0.0 109.313 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.557 HG13 ' CE1' ' A' ' 95' ' ' HIS . 14.5 mm -117.74 -51.66 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.424 1.078 . . . . 0.0 109.342 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 70.3 mt -99.45 -20.12 16.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.452 ' HA2' ' CG ' ' A' ' 42' ' ' PRO . . . 94.73 12.71 55.3 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.509 1.13 . . . . 0.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.445 ' N ' ' HA ' ' A' ' 97' ' ' ASN . . . -163.23 -175.54 4.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 0.736 . . . . 0.0 109.255 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -89.33 127.03 35.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 44.5 m -62.73 160.63 13.93 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.563 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' SER . . . . . 0.471 ' HB3' ' CG ' ' A' ' 108' ' ' GLU . 27.6 t -68.84 142.87 94.09 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.056 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -60.32 -17.52 47.43 Favored 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.313 3.342 . . . . 0.0 109.604 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 61.5 p -91.24 -43.46 9.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.009 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.471 ' CG ' ' HB3' ' A' ' 105' ' ' SER . 11.7 mm-40 -59.54 -15.1 15.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.551 ' HD2' ' CG ' ' A' ' 92' ' ' PHE . 2.7 tppt? -82.87 -71.04 0.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.335 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -40.64 -29.49 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.435 ' N ' ' C ' ' A' ' 109' ' ' LYS . 4.6 t-20 -68.29 -66.51 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.631 ' CE2' ' CD1' ' A' ' 116' ' ' LEU . 39.9 t80 -46.34 -45.28 17.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 111.052 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.459 ' CD1' ' HG3' ' A' ' 109' ' ' LYS . 2.0 mt -54.77 -33.8 28.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.255 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 117' ' ' LEU . . . -71.69 -70.06 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.447 ' CZ ' ' HG2' ' A' ' 32' ' ' LYS . 0.2 OUTLIER -41.27 -29.36 0.13 Allowed 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.034 -0.984 . . . . 0.0 109.844 -179.893 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.631 ' CD1' ' CE2' ' A' ' 112' ' ' PHE . 17.1 mt -77.69 -47.06 20.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.468 ' O ' ' CD1' ' A' ' 117' ' ' LEU . 1.0 OUTLIER -91.49 30.55 1.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 5.7 m . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.407 -179.952 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.5 m . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 110.363 -0.236 . . . . 0.0 110.363 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.496 ' N ' ' ND2' ' A' ' 4' ' ' ASN . 0.3 OUTLIER -82.15 -47.92 11.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.463 ' CB ' HD22 ' A' ' 117' ' ' LEU . . . -56.76 -51.9 67.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 7' ' ' LYS . 12.4 pt-20 -52.32 -36.42 53.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.259 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 11' ' ' LYS . 3.9 tptt -63.96 -55.63 21.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.8 mt -48.02 -39.32 19.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.445 ' O ' ' CB ' ' A' ' 13' ' ' THR . 88.3 t -65.57 -53.18 42.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -73.06 -0.74 14.8 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.807 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 7' ' ' LYS . 1.8 tptp -103.12 -72.07 0.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.443 ' OH ' ' CG ' ' A' ' 89' ' ' GLU . 62.3 m-85 -51.75 -21.66 2.95 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 114.988 -1.006 . . . . 0.0 109.863 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.445 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 52.9 m -79.27 -53.86 6.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.401 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.423 ' O ' ' N ' ' A' ' 18' ' ' SER . 3.5 t30 -55.63 -54.79 39.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.8 mt -50.1 -49.53 21.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.34 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.25 -43.33 96.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.457 ' ND1' ' O ' ' A' ' 23' ' ' TYR . 70.0 t60 -66.98 -29.09 68.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.597 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 14' ' ' ASN . 46.7 t -72.87 -20.06 61.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 110.032 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -99.06 -28.94 13.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.416 ' ND2' ' HG2' ' A' ' 22' ' ' MET . 0.1 OUTLIER -141.18 113.78 6.86 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.158 . . . . 0.0 109.283 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -78.61 42.92 1.34 Allowed 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.299 3.332 . . . . 0.0 109.59 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.416 ' HG2' ' ND2' ' A' ' 20' ' ' ASN . 17.3 ptt? -146.69 34.15 0.94 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.457 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 69.5 t80 -151.81 114.19 4.55 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.833 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -95.29 -47.36 6.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.322 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.482 ' CB ' ' CD ' ' A' ' 26' ' ' PRO . . . -165.26 176.48 2.01 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.482 ' CD ' ' CB ' ' A' ' 25' ' ' ALA . 27.6 Cg_exo -67.19 164.54 29.9 Favored 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 124.335 3.356 . . . . 0.0 109.619 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.68 12.02 9.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.027 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 41.1 pt 44.09 49.74 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.481 ' CG2' ' O ' ' A' ' 29' ' ' THR . 3.4 m -162.29 38.72 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 110.435 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 33' ' ' ILE . 0.6 OUTLIER -148.22 -45.6 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -47.72 -24.53 2.94 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.496 1.122 . . . . 0.0 111.034 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.526 ' HB3' ' CZ ' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -72.85 -35.49 67.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 0.777 . . . . 0.0 109.284 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.45 ' N ' ' O ' ' A' ' 30' ' ' ASP . 13.2 mt -85.61 3.96 3.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.09 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.54 ' CG ' ' O ' ' A' ' 34' ' ' PHE . 60.7 t80 -124.42 30.0 6.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.95 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.586 ' CD1' ' HB2' ' A' ' 49' ' ' CYS . 42.4 t80 -145.25 -41.67 0.23 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.148 . . . . 0.0 111.006 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -100.42 6.85 44.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 -79.95 88.02 5.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 110.313 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.5 ttpp -48.37 101.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.473 ' CE1' HD22 ' A' ' 100' ' ' LEU . 35.7 p90 -108.76 162.13 14.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.79 134.96 51.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 12.8 p -85.4 153.45 58.98 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.386 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.475 ' CG ' ' HA2' ' A' ' 101' ' ' GLY . 59.5 Cg_endo -64.11 -9.04 17.97 Favored 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.296 3.33 . . . . 0.0 109.606 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.1 p -85.87 -6.87 59.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.969 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 84.49 67.07 1.44 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -171.83 138.9 1.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 0.737 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -89.16 123.23 33.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 110.273 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -133.83 -178.44 5.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.271 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.466 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -162.77 152.17 15.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.586 ' HB2' ' CD1' ' A' ' 35' ' ' PHE . 61.9 m -64.77 -13.54 55.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 108.327 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.408 ' HA ' ' O ' ' A' ' 54' ' ' THR . . . -101.37 4.19 41.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.426 ' OG ' ' O ' ' A' ' 48' ' ' ALA . 90.6 p -75.18 -27.08 59.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 110.008 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 80.5 m -121.83 -47.16 2.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 108.291 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.53 ' HB2' ' O ' ' A' ' 49' ' ' CYS . 90.3 m-70 -82.88 14.12 3.47 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.012 -0.994 . . . . 0.0 109.779 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.523 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 44.9 p 50.81 171.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.139 . . . . 0.0 110.387 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.406 ' HA ' ' CB ' ' A' ' 50' ' ' ALA . 10.9 p30 -54.01 -22.04 9.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -134.85 125.53 17.35 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.449 ' HG3' ' CD2' ' A' ' 116' ' ' LEU . 60.4 Cg_endo -70.72 -42.52 2.36 Favored 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.301 3.334 . . . . 0.0 109.603 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.405 ' HA ' ' CB ' ' A' ' 74' ' ' ALA . . . -55.64 -16.95 4.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -90.68 171.26 9.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 70.1 t -73.58 130.38 35.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 70' ' ' ILE . . . -100.78 -174.48 29.39 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.499 1.124 . . . . 0.0 111.013 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.1 tttt -159.61 134.77 8.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 0.755 . . . . 0.0 109.272 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.435 ' ND2' HD12 ' A' ' 70' ' ' ILE . 84.1 m-20 -85.28 128.32 34.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 7.3 pt -84.35 7.22 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.344 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 71.0 t -88.67 -54.44 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 62.5 p -109.17 -33.77 6.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.155 . . . . 0.0 110.442 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 80.97 34.71 26.36 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.467 1.105 . . . . 0.0 111.045 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.435 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 1.0 OUTLIER -77.72 -94.17 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 0.764 . . . . 0.0 109.328 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.435 ' HB3' ' O ' ' A' ' 68' ' ' LYS . 14.1 pt-20 179.25 120.57 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.322 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.435 HD12 ' ND2' ' A' ' 63' ' ' ASN . 2.7 mm -109.93 126.65 28.59 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.46 ' CB ' ' HD2' ' A' ' 72' ' ' PRO . 58.3 Cg_endo -71.0 170.25 18.52 Favored 'Trans proline' 0 N--CA 1.448 -1.184 0 C-N-CA 124.347 3.365 . . . . 0.0 109.578 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.46 ' HD2' ' CB ' ' A' ' 71' ' ' PRO . 13.0 Cg_endo -51.99 135.85 51.84 Favored 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.322 3.348 . . . . 0.0 109.599 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 75' ' ' PRO . 1.3 tp -91.4 -20.15 22.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 73' ' ' LEU . . . -36.58 96.83 0.11 Allowed Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.519 ' HB3' ' CG ' ' A' ' 82' ' ' PHE . 15.5 Cg_exo -68.05 54.89 0.7 Allowed 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 124.353 3.368 . . . . 0.0 109.582 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.1 ttt-85 -171.29 -50.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.297 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 33.6 t -45.93 -41.29 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.452 ' N ' ' OD1' ' A' ' 78' ' ' ASN . 0.4 OUTLIER -111.63 157.54 20.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.348 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.3 t -94.95 3.75 54.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.408 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -104.96 28.33 7.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.412 ' NH2' ' HG2' ' A' ' 71' ' ' PRO . 23.3 mmt-85 -127.6 147.82 50.35 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 110.287 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.519 ' CG ' ' HB3' ' A' ' 75' ' ' PRO . 3.3 m-30 57.08 46.02 19.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 60.1 m -76.05 -64.46 1.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 110.429 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -83.54 97.21 8.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.4 tt -75.57 -2.43 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.249 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -94.39 -24.1 17.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 90' ' ' ASP . 15.7 mttt -101.04 -53.75 2.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -43.16 -28.33 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.443 ' CG ' ' OH ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -79.4 -44.85 20.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.267 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 87' ' ' LYS . 43.2 m-20 -67.15 -45.56 76.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.247 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -59.3 -46.84 87.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.567 ' CD2' ' HD2' ' A' ' 109' ' ' LYS . 0.1 OUTLIER -47.73 -27.4 1.96 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 110.993 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.2 m -88.33 -49.0 7.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.375 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.44 -21.93 64.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.44 ' O ' ' N ' ' A' ' 99' ' ' ILE . 1.3 t60 -73.61 -58.13 3.52 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.749 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . 0.421 ' C ' ' O ' ' A' ' 102' ' ' ALA . 15.1 m -58.43 -26.8 63.71 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.571 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -79.14 -13.55 59.66 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.64 5.19 10.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.44 ' N ' ' O ' ' A' ' 95' ' ' HIS . 5.5 mm -120.33 -46.55 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.473 HD22 ' CE1' ' A' ' 39' ' ' PHE . 39.9 mt -104.14 -24.6 13.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.475 ' HA2' ' CG ' ' A' ' 42' ' ' PRO . . . 98.25 16.37 32.66 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.521 1.138 . . . . 0.0 110.987 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 96' ' ' CYS . . . -164.35 -176.55 4.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 0.788 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -94.51 119.94 33.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 35.2 m -58.55 161.16 4.78 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.62 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' SER . . . . . 0.463 ' OG ' ' CG ' ' A' ' 108' ' ' GLU . 54.0 p -81.49 145.64 55.56 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.993 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -59.56 -14.55 26.34 Favored 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 124.3 3.333 . . . . 0.0 109.593 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 60.1 p -86.46 -44.76 11.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.424 1.078 . . . . 0.0 110.005 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.463 ' CG ' ' OG ' ' A' ' 105' ' ' SER . 2.1 mm-40 -66.47 -8.19 24.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.319 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.567 ' HD2' ' CD2' ' A' ' 92' ' ' PHE . 1.5 tppt? -86.02 -63.93 1.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.88 -16.49 17.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -78.85 -36.46 42.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.616 ' CE2' ' CD1' ' A' ' 116' ' ' LEU . 73.4 t80 -79.99 -46.09 17.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.449 ' CD1' ' HG3' ' A' ' 109' ' ' LYS . 1.9 mt -50.98 -42.62 24.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.97 -69.34 0.25 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.26 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.526 ' CZ ' ' HB3' ' A' ' 32' ' ' LYS . 0.9 OUTLIER -39.9 -39.48 0.84 Allowed 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.795 -179.913 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.616 ' CD1' ' CE2' ' A' ' 112' ' ' PHE . 11.6 mt -68.62 -62.84 1.21 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.463 HD22 ' CB ' ' A' ' 5' ' ' ALA . 16.7 mt -39.38 -44.93 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 8.7 t . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.449 179.976 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 4' ' ' ASN . 76.5 m . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.542 ' ND2' ' H ' ' A' ' 4' ' ' ASN . 0.0 OUTLIER -39.37 -54.88 1.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -41.87 -50.04 4.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.571 1.169 . . . . 0.0 109.302 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 3' ' ' THR . 10.4 tp10 -55.07 -47.71 74.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.319 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.452 ' C ' ' CD ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -58.71 -48.53 80.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.0 mt -51.52 -51.29 56.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.461 ' O ' ' CB ' ' A' ' 13' ' ' THR . 81.3 t -56.94 -52.18 58.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -66.73 -7.6 22.17 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.025 -0.988 . . . . 0.0 109.789 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.1 tptm -99.58 -74.75 0.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.097 . . . . 0.0 109.276 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -46.21 -25.41 0.6 Allowed 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 114.959 -1.019 . . . . 0.0 109.846 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.461 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 25.1 m -72.72 -46.51 53.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.381 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.445 ' O ' ' N ' ' A' ' 17' ' ' HIS . 2.3 t-20 -62.09 -60.92 2.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.4 mt -43.75 -47.49 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.85 -39.86 90.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.341 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.445 ' N ' ' O ' ' A' ' 14' ' ' ASN . 12.9 t60 -69.9 -30.56 68.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.612 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 29.7 t -64.93 -10.86 32.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.046 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -110.43 -44.93 3.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.437 ' ND2' ' HD2' ' A' ' 21' ' ' PRO . 13.2 t-20 -119.84 121.68 29.58 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.437 ' HD2' ' ND2' ' A' ' 20' ' ' ASN . 88.1 Cg_endo -82.86 35.65 0.58 Allowed 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.331 3.354 . . . . 0.0 109.607 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 3.7 mtt -143.24 36.99 1.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.984 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.441 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 12.7 t80 -138.8 113.34 8.96 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.829 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -100.21 -48.65 4.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.288 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -158.16 152.37 20.13 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -59.65 -161.76 0.02 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.188 0 C-N-CA 124.321 3.347 . . . . 0.0 109.572 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 29.4 t -150.63 164.21 36.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.424 1.078 . . . . 0.0 109.982 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.425 ' CG2' HG22 ' A' ' 118' ' ' THR . 5.8 pt -117.55 43.47 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.09 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 51.5 m -154.86 35.51 0.4 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 110.411 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -154.83 -44.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.454 ' N ' HD22 ' A' ' 111' ' ' ASN . . . -41.85 -27.27 0.35 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.446 1.091 . . . . 0.0 110.971 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.515 ' HB3' ' CZ ' ' A' ' 115' ' ' TYR . 26.2 pttt -69.92 -46.46 65.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 0.802 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.483 ' N ' ' O ' ' A' ' 30' ' ' ASP . 19.7 mt -58.86 -55.15 25.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -56.63 -18.71 13.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.564 ' CE2' ' HD3' ' A' ' 57' ' ' PRO . 84.9 t80 -108.86 4.99 24.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.956 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.411 ' OD1' ' O ' ' A' ' 35' ' ' PHE . 85.7 m-20 -142.52 27.43 1.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.471 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -104.56 88.97 3.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -43.61 95.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.253 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.566 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 30.6 p90 -106.62 161.14 14.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 111.016 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.26 135.06 46.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 69.3 p -79.15 154.64 77.34 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 110.427 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.502 ' CG ' ' HA2' ' A' ' 101' ' ' GLY . 60.7 Cg_endo -64.83 -6.2 12.09 Favored 'Trans proline' 0 N--CA 1.447 -1.251 0 C-N-CA 124.348 3.365 . . . . 0.0 109.587 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.2 p -107.94 31.92 5.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.029 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 49.78 83.81 0.03 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.529 1.143 . . . . 0.0 111.015 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 178.72 124.59 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 0.762 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -79.99 125.31 29.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 0.0 110.322 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.39 177.93 7.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.566 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -159.11 153.87 24.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.466 ' O ' ' HB2' ' A' ' 53' ' ' HIS . 61.7 m -65.69 -12.34 52.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 108.279 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.433 ' O ' ' HA ' ' A' ' 54' ' ' THR . . . -103.68 5.93 36.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.401 ' OG ' ' O ' ' A' ' 48' ' ' ALA . 90.5 p -73.58 -31.86 63.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.034 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 61.2 m -116.06 -42.78 3.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 108.307 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.5 ' O ' ' OG1' ' A' ' 54' ' ' THR . 69.0 m-70 -86.54 15.73 5.27 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.733 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.5 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 61.3 p 49.77 173.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 110.399 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.402 ' HA ' ' CB ' ' A' ' 50' ' ' ALA . 7.4 p30 -56.48 -25.95 52.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -127.32 124.63 23.75 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.564 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 65.0 Cg_endo -70.64 -39.46 4.79 Favored 'Trans proline' 0 N--CA 1.447 -1.209 0 C-N-CA 124.338 3.359 . . . . 0.0 109.632 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.34 -16.05 12.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -89.12 175.31 7.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.26 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 40.4 t -78.98 117.09 23.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.248 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -77.21 -169.49 31.96 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.528 1.143 . . . . 0.0 110.996 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -170.24 122.23 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 0.749 . . . . 0.0 109.257 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.423 ' ND2' HD12 ' A' ' 70' ' ' ILE . 90.9 m-20 -77.72 134.89 38.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 7.0 pt -84.33 8.15 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 67.8 t -87.28 -54.57 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.256 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 71.9 p -106.86 -34.42 7.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.382 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 88.36 47.48 4.33 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.128 . . . . 0.0 110.99 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.65 -166.35 1.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.57 0.806 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -112.83 101.19 9.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.316 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.423 HD12 ' ND2' ' A' ' 63' ' ' ASN . 2.8 mm -82.35 118.07 70.64 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -46.65 163.77 0.11 Allowed 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.306 3.338 . . . . 0.0 109.621 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -48.44 132.32 24.42 Favored 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.343 3.362 . . . . 0.0 109.569 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.49 HD12 ' CE1' ' A' ' 53' ' ' HIS . 5.5 tp -84.76 -31.14 24.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.454 ' CB ' ' HB ' ' A' ' 77' ' ' VAL . . . -39.61 100.3 0.21 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.265 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.572 ' HB3' ' CD1' ' A' ' 82' ' ' PHE . 48.0 Cg_exo -59.37 -13.04 18.68 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.341 3.361 . . . . 0.0 109.557 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.6 ttp85 -100.84 -53.55 3.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 110.273 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.454 ' HB ' ' CB ' ' A' ' 74' ' ' ALA . 40.3 t -54.86 -40.25 51.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.43 ' ND2' ' HG2' ' A' ' 81' ' ' ARG . 40.1 t-20 -95.05 104.46 16.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 43.4 p -59.19 -19.11 42.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.418 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.413 ' O ' ' NH1' ' A' ' 81' ' ' ARG . 6.6 mmtp -88.28 43.19 1.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.084 . . . . 0.0 109.277 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.485 ' CB ' ' HA ' ' A' ' 75' ' ' PRO . 86.7 mmt-85 -147.24 171.99 14.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 110.311 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.572 ' CD1' ' HB3' ' A' ' 75' ' ' PRO . 3.8 m-30 36.05 66.07 0.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 86.5 m -96.46 -60.4 1.62 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 110.384 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -112.04 100.76 9.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.473 ' CD1' ' HB3' ' A' ' 4' ' ' ASN . 55.6 mt -40.16 -43.67 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 85' ' ' ILE . 29.9 t0 -40.41 -58.67 1.49 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.86 79.57 6.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.262 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER 174.54 -34.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -71.15 -53.96 12.69 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.548 1.155 . . . . 0.0 110.3 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -65.06 -49.47 69.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 109.327 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -47.57 -38.71 14.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 110.277 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.568 ' CD1' ' HD2' ' A' ' 109' ' ' LYS . 0.1 OUTLIER -62.86 -27.04 69.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 111.003 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -88.34 -36.67 16.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.373 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.0 mmmt -72.07 -29.69 64.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.422 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.4 t60 -67.46 -60.6 2.43 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.78 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . 0.45 ' C ' ' O ' ' A' ' 102' ' ' ALA . 1.8 m -54.78 -25.11 25.82 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.567 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.457 ' HA ' ' N ' ' A' ' 102' ' ' ALA . 1.9 m-20 -78.84 -15.8 57.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -111.53 -4.53 14.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.422 HG13 ' CE1' ' A' ' 95' ' ' HIS . 48.9 mm -111.06 -57.33 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.412 HD22 ' CE1' ' A' ' 39' ' ' PHE . 47.0 mt -91.33 -15.86 28.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.502 ' HA2' ' CG ' ' A' ' 42' ' ' PRO . . . 87.64 13.7 64.64 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.516 1.135 . . . . 0.0 111.039 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.457 ' N ' ' HA ' ' A' ' 97' ' ' ASN . . . -161.2 -169.98 2.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 0.759 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -96.9 121.39 38.72 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 45.2 m -61.39 161.5 9.21 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.04 -0.982 . . . . 0.0 109.554 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.5 m -74.57 143.35 78.88 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.135 . . . . 0.0 109.951 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -61.52 -20.69 69.6 Favored 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.333 3.356 . . . . 0.0 109.603 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 53.0 p -82.52 -34.65 27.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.027 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -75.5 -14.45 60.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.342 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.568 ' HD2' ' CD1' ' A' ' 92' ' ' PHE . 0.6 OUTLIER -78.3 -59.64 2.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.04 -24.67 63.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.454 HD22 ' N ' ' A' ' 31' ' ' GLY . 0.8 OUTLIER -69.0 -39.84 79.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.31 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.676 ' CE2' ' CD1' ' A' ' 116' ' ' LEU . 39.5 t80 -76.5 -45.98 28.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 111.049 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.403 HG21 ' CG2' ' A' ' 9' ' ' VAL . 1.9 mt -52.55 -38.58 26.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.36 -60.44 2.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.515 ' CZ ' ' HB3' ' A' ' 32' ' ' LYS . 1.3 t80 -53.14 -35.2 59.47 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.851 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.676 ' CD1' ' CE2' ' A' ' 112' ' ' PHE . 7.2 mt -70.37 -41.63 72.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.421 1.076 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.496 ' O ' ' CD1' ' A' ' 117' ' ' LEU . 1.2 pp -92.34 28.25 2.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.143 . . . . 0.0 109.332 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.425 HG22 ' CG2' ' A' ' 28' ' ' ILE . 1.9 m . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.353 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.425 -0.213 . . . . 0.0 110.425 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.475 ' N ' ' ND2' ' A' ' 4' ' ' ASN . 0.3 OUTLIER -79.66 -49.09 12.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.241 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.44 -47.79 62.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -52.86 -49.45 65.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.572 1.17 . . . . 0.0 110.307 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.436 ' C ' ' CD ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -53.14 -52.93 57.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.42 ' N ' ' HD2' ' A' ' 7' ' ' LYS . 10.9 mt -51.39 -53.04 40.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.266 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.494 ' CG2' HG23 ' A' ' 113' ' ' ILE . 91.7 t -59.91 -36.5 67.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -80.27 6.95 10.53 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.851 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.8 mmtm -119.83 -74.05 0.62 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 109.326 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -45.88 -24.06 0.35 Allowed 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.799 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.431 ' CG2' ' O ' ' A' ' 24' ' ' GLU . 51.8 m -75.5 -53.36 8.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 110.421 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -55.87 -53.61 54.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.8 mt -50.4 -48.2 25.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.72 -45.39 94.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.338 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.45 ' ND1' ' O ' ' A' ' 23' ' ' TYR . 72.7 t60 -64.45 -30.21 71.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.584 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.5 t -71.68 -18.22 62.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.992 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -102.35 -21.48 14.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.441 ' O ' ' HA ' ' A' ' 17' ' ' HIS . 11.3 t-20 -146.77 119.37 4.9 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.418 ' HD2' ' ND2' ' A' ' 20' ' ' ASN . 91.0 Cg_endo -83.18 31.82 0.52 Allowed 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.338 3.358 . . . . 0.0 109.586 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.6 mtp -138.9 30.52 2.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 110.98 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.45 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 82.4 t80 -147.86 112.4 5.32 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.058 -0.973 . . . . 0.0 109.796 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.431 ' O ' ' CG2' ' A' ' 13' ' ' THR . 3.2 mm-40 -94.89 -48.61 5.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 110.322 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.456 ' CB ' ' CD ' ' A' ' 26' ' ' PRO . . . -160.72 175.6 3.03 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.456 ' CD ' ' CB ' ' A' ' 25' ' ' ALA . 16.6 Cg_exo -70.57 -178.55 2.71 Favored 'Trans proline' 0 N--CA 1.448 -1.198 0 C-N-CA 124.362 3.375 . . . . 0.0 109.537 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.485 ' C ' HG13 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -136.96 25.15 3.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 0.0 110.012 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.525 ' O ' ' CD1' ' A' ' 28' ' ' ILE . 2.7 pp 35.26 36.28 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.457 ' N ' ' O ' ' A' ' 27' ' ' SER . 35.5 m -126.64 -59.06 1.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.394 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.27 -16.65 14.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.573 ' HA2' ' CD2' ' A' ' 115' ' ' TYR . . . -70.03 63.88 0.72 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.471 1.107 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.21 -47.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 0.759 . . . . 0.0 109.293 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 89.7 mt -62.13 -41.38 91.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -76.5 -9.75 58.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 0.0 110.966 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.57 ' CD1' ' HB2' ' A' ' 49' ' ' CYS . 82.5 t80 -111.71 9.18 20.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 111.028 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -145.9 26.92 1.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.485 ' O ' ' N ' ' A' ' 39' ' ' PHE . 4.1 tpm_? -100.88 93.07 5.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.294 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -46.68 93.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.603 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 24.0 p90 -107.62 156.41 19.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -105.01 139.16 40.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.408 ' HB ' ' HD2' ' A' ' 42' ' ' PRO . 52.4 p -83.12 154.86 67.26 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.395 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.481 ' CG ' ' HA2' ' A' ' 101' ' ' GLY . 56.9 Cg_endo -62.85 -7.85 12.28 Favored 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.36 3.373 . . . . 0.0 109.595 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.5 p -103.83 32.67 3.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 109.961 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 48.71 80.14 0.06 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.122 . . . . 0.0 110.995 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 24.0 ttpt -175.03 135.23 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 0.789 . . . . 0.0 109.28 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -93.43 123.25 36.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -136.33 -169.44 2.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.603 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -175.1 154.15 1.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.27 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.57 ' HB2' ' CD1' ' A' ' 35' ' ' PHE . 21.4 m -70.11 -8.02 46.21 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 108.321 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.437 ' O ' ' HA ' ' A' ' 54' ' ' THR . . . -107.29 5.67 27.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.252 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.51 -20.29 28.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.972 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 63.9 m -122.31 -44.71 2.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 108.326 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.523 ' O ' ' OG1' ' A' ' 54' ' ' THR . 65.2 m-70 -93.35 16.51 13.17 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 114.961 -1.018 . . . . 0.0 109.791 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.523 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 58.0 p 50.63 169.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 110.366 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.424 ' HA ' ' CB ' ' A' ' 50' ' ' ALA . 9.9 p30 -53.07 -25.8 13.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 15.9 t30 -128.71 124.78 22.79 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.525 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 74.2 Cg_endo -71.31 -37.32 5.91 Favored 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.292 3.328 . . . . 0.0 109.614 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.76 -13.87 17.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 0.0 109.235 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -92.65 173.73 7.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 87.1 t -75.32 127.61 36.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -99.74 -177.67 30.93 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.545 1.153 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -161.63 135.86 6.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 0.789 . . . . 0.0 109.322 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.447 ' ND2' ' CD1' ' A' ' 70' ' ' ILE . 92.9 m-20 -85.7 127.45 34.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.8 pt -83.11 5.83 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 74.5 t -86.78 -53.78 9.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.244 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 77.1 p -109.13 -34.02 6.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.392 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 81.59 35.29 23.01 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.55 1.156 . . . . 0.0 111.001 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 32.8 mmtt -80.27 -94.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 0.752 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -179.39 123.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.447 ' CD1' ' ND2' ' A' ' 63' ' ' ASN . 2.2 mm -114.06 96.01 40.39 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -49.42 167.56 0.16 Allowed 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.321 3.347 . . . . 0.0 109.614 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_exo -37.4 132.32 0.59 Allowed 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 124.338 3.359 . . . . 0.0 109.586 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.424 ' O ' ' C ' ' A' ' 74' ' ' ALA . 3.7 tp -94.2 -30.21 14.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 73' ' ' LEU . . . -38.56 108.53 0.46 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.285 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.536 ' HB2' ' CG ' ' A' ' 82' ' ' PHE . 71.8 Cg_endo -79.25 41.88 1.18 Allowed 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.294 3.33 . . . . 0.0 109.575 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.61 -56.44 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.291 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 14.1 t -42.79 -42.69 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 109.254 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.485 ' N ' ' OD1' ' A' ' 78' ' ' ASN . 0.2 OUTLIER -100.63 147.83 25.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 25.4 p -90.29 2.62 55.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.404 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.86 47.29 0.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.25 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 59.0 mmt-85 -143.77 158.18 43.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.16 . . . . 0.0 110.32 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.536 ' CG ' ' HB2' ' A' ' 75' ' ' PRO . 1.6 m-30 50.8 34.17 9.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.941 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 34.9 m -91.65 53.42 2.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.147 . . . . 0.0 110.43 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.2 t0 177.93 90.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 2.5 tt -89.45 40.06 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -126.66 -46.82 1.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.408 ' HE3' ' CG ' ' A' ' 91' ' ' GLU . 30.4 tttp -87.35 -34.36 18.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 1.2 t -50.62 -36.92 14.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -77.26 57.46 1.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.275 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.1 t0 175.49 -48.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 6.5 mm-40 -56.25 -19.09 12.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.566 ' CG ' ' HD2' ' A' ' 109' ' ' LYS . 0.1 OUTLIER -84.02 -24.07 30.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 110.975 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.0 -31.45 18.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 110.406 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 43.4 mmtt -75.98 -30.03 58.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.574 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.3 t60 -67.72 -58.77 4.07 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 115.008 -0.996 . . . . 0.0 109.774 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . 0.424 ' C ' ' O ' ' A' ' 102' ' ' ALA . 8.4 m -57.24 -24.81 57.14 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.561 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.455 ' HA ' ' N ' ' A' ' 102' ' ' ALA . 1.6 m-20 -81.29 -13.0 58.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -115.53 -2.84 12.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.574 HG13 ' CE1' ' A' ' 95' ' ' HIS . 26.8 mm -114.47 -55.13 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.417 HD22 ' CE1' ' A' ' 39' ' ' PHE . 41.5 mt -94.46 -9.56 35.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.481 ' HA2' ' CG ' ' A' ' 42' ' ' PRO . . . 81.11 13.86 80.21 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.55 1.156 . . . . 0.0 110.998 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.455 ' N ' ' HA ' ' A' ' 97' ' ' ASN . . . -167.72 176.81 6.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.448 0.734 . . . . 0.0 109.361 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -79.14 131.62 36.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 35.9 m -71.37 162.06 30.04 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.536 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.5 m -73.66 141.67 79.66 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.974 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_endo -60.3 -17.0 44.29 Favored 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.335 3.357 . . . . 0.0 109.595 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 54.2 p -87.74 -38.03 16.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.947 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -70.63 -5.66 31.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.324 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.566 ' HD2' ' CG ' ' A' ' 92' ' ' PHE . 2.6 tppt? -92.08 -65.77 0.98 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -49.74 -22.66 1.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.267 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.572 HD22 ' N ' ' A' ' 31' ' ' GLY . 0.3 OUTLIER -77.23 -37.25 53.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.567 ' CE2' HD12 ' A' ' 116' ' ' LEU . 47.2 t80 -77.32 -45.71 25.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.494 HG23 ' CG2' ' A' ' 9' ' ' VAL . 1.7 mt -55.76 -39.21 54.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 117' ' ' LEU . . . -63.9 -70.69 0.2 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.142 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.573 ' CD2' ' HA2' ' A' ' 31' ' ' GLY . 1.2 t80 -43.85 -29.45 0.55 Allowed 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 114.966 -1.015 . . . . 0.0 109.831 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.567 HD12 ' CE2' ' A' ' 112' ' ' PHE . 12.0 mt -73.58 -44.85 56.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 114' ' ' ALA . 1.0 OUTLIER -92.16 30.29 1.47 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.451 179.94 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.1 m . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.41 -0.218 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.513 ' N ' ' ND2' ' A' ' 4' ' ' ASN . 0.1 OUTLIER -84.82 -52.75 5.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -45.28 -47.22 12.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -56.77 -47.56 79.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.0 mmtm -55.86 -53.83 51.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.8 mt -47.76 -49.93 27.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.422 ' CG2' HG23 ' A' ' 113' ' ' ILE . 59.8 t -60.03 -45.03 96.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -67.8 -12.88 61.51 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.843 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.415 ' O ' ' N ' ' A' ' 14' ' ' ASN . 7.3 tptt -95.83 -72.01 0.65 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.563 ' CD1' ' HB3' ' A' ' 109' ' ' LYS . 54.0 m-85 -45.69 -26.36 0.62 Allowed 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.829 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.418 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 22.4 m -74.0 -41.54 61.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 110.359 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.43 ' O ' ' N ' ' A' ' 18' ' ' SER . 16.3 t-20 -65.36 -60.16 3.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.9 mt -44.68 -48.12 2.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.29 -46.65 85.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.479 ' ND1' ' O ' ' A' ' 23' ' ' TYR . 9.4 t60 -65.71 -33.02 74.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 109.611 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 14' ' ' ASN . 44.5 t -67.08 -9.93 44.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.985 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -103.14 -39.8 6.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 109.346 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.411 ' O ' ' OD1' ' A' ' 20' ' ' ASN . 38.4 p-10 -140.77 135.2 15.4 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -85.12 46.02 1.74 Allowed 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.303 3.335 . . . . 0.0 109.64 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 6.7 ptt? -145.41 37.86 1.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 110.966 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.479 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 12.4 t80 -146.57 106.15 3.94 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.802 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -93.2 -49.3 6.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.324 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -152.09 167.59 12.9 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.259 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -87.56 -173.27 1.0 Allowed 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.297 3.332 . . . . 0.0 109.602 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.458 ' OG ' ' N ' ' A' ' 28' ' ' ILE . 18.4 t -140.03 -176.43 4.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.974 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.458 ' N ' ' OG ' ' A' ' 27' ' ' SER . 6.2 pt -125.41 53.53 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.9 m -139.29 -45.23 0.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.387 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -58.55 -34.68 71.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.598 ' O ' ' CE1' ' A' ' 115' ' ' TYR . . . -69.42 69.29 0.52 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.49 1.119 . . . . 0.0 110.968 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.441 ' HG2' ' CE1' ' A' ' 115' ' ' TYR . 4.0 mmtp -165.23 -61.62 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.472 0.748 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 26.2 mt -68.39 -50.36 57.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.607 ' CZ ' ' OE1' ' A' ' 108' ' ' GLU . 14.2 t80 -54.65 -21.19 9.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.976 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.59 ' CD1' ' HB2' ' A' ' 49' ' ' CYS . 86.3 t80 -108.2 5.36 25.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.41 ' OD1' ' O ' ' A' ' 35' ' ' PHE . 85.8 m-20 -142.36 25.59 1.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -103.75 99.26 9.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.289 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -49.72 92.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.585 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 22.5 p90 -105.38 156.43 18.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 111.031 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.03 139.46 39.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.1 p -84.42 154.38 62.62 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.391 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.487 ' CG ' ' HA2' ' A' ' 101' ' ' GLY . 53.8 Cg_endo -62.09 -8.19 11.54 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.286 3.324 . . . . 0.0 109.629 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 p -103.35 34.43 2.93 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.525 1.141 . . . . 0.0 110.018 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 47.08 81.35 0.04 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.477 1.11 . . . . 0.0 110.967 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -176.88 140.69 0.33 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 0.742 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -97.41 124.94 41.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.271 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.47 -175.34 4.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.585 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -167.43 154.63 8.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.59 ' HB2' ' CD1' ' A' ' 35' ' ' PHE . 21.8 m -70.52 -7.84 46.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 108.302 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.436 ' HA ' ' O ' ' A' ' 54' ' ' THR . . . -106.31 4.19 28.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.95 -17.76 36.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.98 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 66.9 m -124.72 -45.57 1.9 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 108.289 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.506 ' O ' ' O ' ' A' ' 54' ' ' THR . 59.3 m-70 -93.26 18.57 9.33 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.752 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.506 ' O ' ' O ' ' A' ' 53' ' ' HIS . 47.9 p 49.28 171.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 110.42 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -52.25 -24.73 7.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.085 . . . . 0.0 109.275 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -130.28 126.88 22.4 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.515 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 74.0 Cg_endo -70.85 -43.96 1.54 Allowed 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.32 3.347 . . . . 0.0 109.61 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.18 -18.42 3.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -87.1 176.45 7.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 74.8 t -78.61 121.7 32.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.16 . . . . 0.0 109.295 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 70' ' ' ILE . . . -86.16 -170.27 46.8 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.528 1.142 . . . . 0.0 110.981 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -165.32 124.1 1.69 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 0.764 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.429 ' ND2' ' CD1' ' A' ' 70' ' ' ILE . 89.8 m-20 -79.42 128.55 33.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.0 pt -83.49 6.1 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 53.2 t -87.87 -54.65 7.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 63.5 p -107.41 -35.29 6.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 110.422 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 80.38 34.28 29.45 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.49 1.119 . . . . 0.0 110.965 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -79.92 -95.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 0.736 . . . . 0.0 109.269 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -178.38 122.19 0.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 110.301 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.439 ' O ' ' N ' ' A' ' 61' ' ' GLY . 2.2 mm -111.2 102.28 52.53 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -50.64 169.99 0.15 Allowed 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.346 3.364 . . . . 0.0 109.579 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -38.5 130.65 1.11 Allowed 'Trans proline' 0 N--CA 1.448 -1.175 0 C-N-CA 124.296 3.33 . . . . 0.0 109.608 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 75' ' ' PRO . 3.3 tp -87.19 -32.03 20.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.339 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 73' ' ' LEU . . . -36.93 97.07 0.12 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.598 ' CB ' ' CD1' ' A' ' 82' ' ' PHE . 24.6 Cg_exo -63.66 -14.27 41.71 Favored 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.323 3.349 . . . . 0.0 109.609 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.54 -44.24 8.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 19.3 t -50.81 -42.66 23.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.239 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.479 ' N ' ' OD1' ' A' ' 78' ' ' ASN . 0.2 OUTLIER -103.2 133.96 47.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.5 t -82.95 -1.91 53.64 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.533 1.145 . . . . 0.0 110.388 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt -102.71 29.97 5.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.485 ' CB ' ' HA ' ' A' ' 75' ' ' PRO . 6.5 mmt180 -125.3 -92.1 0.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.313 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.598 ' CD1' ' CB ' ' A' ' 75' ' ' PRO . 1.5 m-30 -66.64 68.06 0.06 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.429 1.081 . . . . 0.0 110.966 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 81' ' ' ARG . 22.0 m -131.76 41.46 3.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.407 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -175.57 63.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.326 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.478 ' CD1' ' HB3' ' A' ' 4' ' ' ASN . 96.2 mt -41.06 -49.73 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 85' ' ' ILE . 0.3 OUTLIER -39.55 -57.1 1.53 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -101.72 94.06 5.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER 174.16 -34.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.435 1.084 . . . . 0.0 109.277 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.39 -27.44 60.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -83.73 -50.41 8.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 3.7 mm-40 -52.94 -20.46 3.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.26 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.576 ' CD1' ' HD2' ' A' ' 109' ' ' LYS . 0.1 OUTLIER -79.58 -26.87 41.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.501 ' CG2' ' OD2' ' A' ' 103' ' ' ASP . 1.0 OUTLIER -87.76 -33.66 18.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.375 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -72.57 -34.3 67.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 1.168 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.574 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.2 t60 -63.75 -60.4 3.35 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.746 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . 0.428 ' C ' ' O ' ' A' ' 102' ' ' ALA . 7.6 m -54.52 -26.89 34.45 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.589 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.463 ' HA ' ' N ' ' A' ' 102' ' ' ALA . 1.5 m-20 -77.7 -15.09 59.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -113.16 -0.97 14.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.574 HG13 ' CE1' ' A' ' 95' ' ' HIS . 22.3 mm -113.75 -57.31 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 63.9 mt -92.44 -19.17 22.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.487 ' HA2' ' CG ' ' A' ' 42' ' ' PRO . . . 93.27 13.3 56.2 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.488 1.118 . . . . 0.0 111.017 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.463 ' N ' ' HA ' ' A' ' 97' ' ' ASN . . . -163.15 -173.55 3.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 0.779 . . . . 0.0 109.263 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.501 ' OD2' ' CG2' ' A' ' 93' ' ' THR . 11.3 t0 -91.26 123.61 34.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . 0.427 ' HB3' ' CD ' ' A' ' 108' ' ' GLU . 34.0 m -60.54 161.77 7.2 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.966 -1.015 . . . . 0.0 109.574 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' SER . . . . . 0.411 ' N ' ' HG2' ' A' ' 108' ' ' GLU . 0.9 OUTLIER -63.63 158.38 59.99 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.01 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -81.07 -24.45 4.66 Favored 'Trans proline' 0 N--CA 1.448 -1.188 0 C-N-CA 124.281 3.321 . . . . 0.0 109.537 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.49 -8.92 49.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.012 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.607 ' OE1' ' CZ ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -95.56 -21.51 18.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.277 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.576 ' HD2' ' CD1' ' A' ' 92' ' ' PHE . 0.2 OUTLIER -72.8 -49.26 31.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.33 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.49 -43.45 93.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.155 . . . . 0.0 109.336 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -49.96 -64.66 0.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.585 ' CE2' HD13 ' A' ' 116' ' ' LEU . 37.1 t80 -50.11 -46.69 53.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.422 HG23 ' CG2' ' A' ' 9' ' ' VAL . 1.5 mt -54.32 -31.2 22.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -74.4 -60.91 2.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.248 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.598 ' CE1' ' O ' ' A' ' 31' ' ' GLY . 0.6 OUTLIER -50.29 -32.67 17.58 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.795 -179.82 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.585 HD13 ' CE2' ' A' ' 112' ' ' PHE . 10.0 mt -73.07 -41.51 64.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.367 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.444 ' O ' ' CD1' ' A' ' 117' ' ' LEU . 1.3 pp -90.82 20.87 4.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.7 m . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 110.396 179.985 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.6 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.383 -0.228 . . . . 0.0 110.383 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.514 ' N ' ' ND2' ' A' ' 4' ' ' ASN . 0.4 OUTLIER -78.45 -48.18 15.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -49.34 -49.6 43.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -58.5 -40.69 83.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.45 -50.49 73.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.474 HD23 ' CG1' ' A' ' 85' ' ' ILE . 6.1 mt -54.23 -52.59 60.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.465 ' CG2' HG23 ' A' ' 113' ' ' ILE . 87.3 t -54.11 -47.34 66.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.312 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -77.68 4.92 10.33 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.809 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.5 mmtt -110.64 -72.36 0.72 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.153 . . . . 0.0 109.276 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.47 ' CB ' ' HB3' ' A' ' 110' ' ' ALA . 97.9 m-85 -51.39 -21.38 2.25 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.844 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.428 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 29.2 m -76.09 -48.09 22.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 110.392 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.408 ' O ' ' N ' ' A' ' 18' ' ' SER . 54.0 t-20 -62.94 -52.73 61.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.0 mt -50.71 -45.21 27.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.68 -37.75 88.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.508 ' ND1' ' O ' ' A' ' 23' ' ' TYR . 33.2 t60 -71.38 -27.11 63.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.57 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 14' ' ' ASN . 46.0 t -72.61 -25.12 61.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.064 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.78 -35.07 14.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.422 ' ND2' ' HG3' ' A' ' 22' ' ' MET . 0.1 OUTLIER -138.23 117.73 9.81 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.323 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -80.13 41.05 1.05 Allowed 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.362 3.375 . . . . 0.0 109.594 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.422 ' HG3' ' ND2' ' A' ' 20' ' ' ASN . 1.4 mtp -142.3 35.88 1.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 111.009 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.508 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 58.5 t80 -149.47 117.66 6.4 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.824 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -96.92 -46.91 6.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.307 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.474 ' CB ' ' CD ' ' A' ' 26' ' ' PRO . . . -167.14 176.45 1.73 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.474 ' CD ' ' CB ' ' A' ' 25' ' ' ALA . 15.6 Cg_exo -71.28 -171.21 0.57 Allowed 'Trans proline' 0 N--CA 1.446 -1.268 0 C-N-CA 124.348 3.365 . . . . 0.0 109.633 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.99 24.47 0.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.971 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 36.7 pt 42.51 49.44 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.253 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 39.5 m -131.29 -52.01 1.02 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.148 . . . . 0.0 110.351 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.33 -39.06 72.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.098 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.401 ' O ' ' CG ' ' A' ' 115' ' ' TYR . . . -71.79 58.46 1.33 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.525 1.14 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.505 ' HG2' ' CZ ' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -154.18 -63.57 0.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 0.784 . . . . 0.0 109.278 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 30.0 mt -78.17 -43.51 27.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -57.13 -22.04 37.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.962 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.598 ' CD1' ' CB ' ' A' ' 49' ' ' CYS . 87.2 t80 -106.81 7.05 30.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 111.013 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -143.57 26.84 1.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.468 ' O ' ' N ' ' A' ' 39' ' ' PHE . 2.4 tpm_? -103.92 93.69 5.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -47.32 94.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.621 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 26.8 p90 -101.45 163.43 12.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.15 134.53 53.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 23.0 p -84.05 154.59 63.98 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.378 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -64.73 -6.03 11.58 Favored 'Trans proline' 0 N--CA 1.446 -1.29 0 C-N-CA 124.334 3.356 . . . . 0.0 109.61 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.8 p -98.27 8.93 44.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.073 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.03 75.46 0.5 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.445 1.091 . . . . 0.0 111.006 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -170.58 136.37 1.25 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 0.777 . . . . 0.0 109.318 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -91.02 122.33 33.59 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 110.316 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.94 -177.11 4.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.426 1.079 . . . . 0.0 109.37 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.621 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -167.07 155.06 9.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.108 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.598 ' CB ' ' CD1' ' A' ' 35' ' ' PHE . 31.0 m -68.78 -9.29 50.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 108.342 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.443 ' O ' ' HA ' ' A' ' 54' ' ' THR . . . -106.61 3.19 26.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.409 ' HB2' ' O ' ' A' ' 48' ' ' ALA . 0.4 OUTLIER -83.61 -18.05 39.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.994 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 57.4 m -125.17 -46.28 1.81 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 108.354 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.524 ' O ' ' OG1' ' A' ' 54' ' ' THR . 74.4 m-70 -91.67 16.91 9.66 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.759 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.524 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 43.2 p 50.65 168.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.391 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.436 ' HA ' ' CB ' ' A' ' 50' ' ' ALA . 9.0 p30 -51.88 -25.82 8.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -129.05 123.39 21.78 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.539 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 55.2 Cg_endo -68.98 -38.79 8.98 Favored 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.3 3.333 . . . . 0.0 109.652 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.6 -14.68 14.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -93.22 169.16 10.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 27.6 t -70.13 136.12 26.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.351 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -109.52 -178.64 21.21 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.552 1.158 . . . . 0.0 110.96 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.0 ttmm -156.56 136.96 13.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 0.774 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.428 ' ND2' ' CD1' ' A' ' 70' ' ' ILE . 87.0 m-20 -87.01 130.57 34.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.5 pt -85.99 9.7 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.348 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 61.7 t -91.48 -55.34 6.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 71.3 p -109.03 -33.3 6.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.403 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 79.71 35.18 29.19 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -78.14 -92.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 0.0 109.298 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -179.01 119.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.294 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.428 ' CD1' ' ND2' ' A' ' 63' ' ' ASN . 3.2 mm -108.93 122.9 38.56 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -70.94 160.03 50.64 Favored 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.327 3.352 . . . . 0.0 109.608 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_endo -45.67 129.64 11.74 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.33 3.353 . . . . 0.0 109.573 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.514 ' O ' ' C ' ' A' ' 74' ' ' ALA . 0.1 OUTLIER -75.68 -29.79 59.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.304 -179.914 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.514 ' C ' ' O ' ' A' ' 73' ' ' LEU . . . -30.48 108.39 0.25 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.574 ' HB2' ' CD2' ' A' ' 82' ' ' PHE . 81.3 Cg_endo -79.32 44.25 1.66 Allowed 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 124.329 3.353 . . . . 0.0 109.612 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.9 ttp85 -157.19 -54.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.312 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 14.3 t -40.82 -42.91 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.481 ' N ' ' OD1' ' A' ' 78' ' ' ASN . 0.2 OUTLIER -100.54 154.0 18.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.5 p -94.67 3.9 54.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.408 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.54 49.81 1.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 50.3 mmt-85 -140.71 157.06 45.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 110.308 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.574 ' CD2' ' HB2' ' A' ' 75' ' ' PRO . 3.7 m-30 44.98 51.11 8.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 91.1 m -81.39 -61.79 1.84 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 110.436 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -87.24 94.07 9.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.341 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.474 ' CG1' HD23 ' A' ' 8' ' ' LEU . 13.7 tt -63.94 -12.7 12.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -76.99 -65.89 0.89 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.252 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.88 58.25 3.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.122 . . . . 0.0 109.292 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -140.77 -39.49 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.348 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.32 -42.7 79.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -69.53 -46.17 67.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.412 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 3.4 mm-40 -55.67 -19.87 12.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -83.4 -23.0 32.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.963 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.411 ' OG1' ' CG ' ' A' ' 103' ' ' ASP . 1.0 OUTLIER -92.0 -32.6 15.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.395 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.85 -32.86 63.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.578 1.173 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.566 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.4 t60 -66.13 -58.12 6.14 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.754 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . 0.423 ' C ' ' O ' ' A' ' 102' ' ' ALA . 6.2 m -56.13 -26.15 49.0 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.617 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.461 ' HA ' ' N ' ' A' ' 102' ' ' ALA . 1.8 m-80 -78.0 -13.49 59.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.573 1.171 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -118.54 6.5 11.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.566 HG13 ' CE1' ' A' ' 95' ' ' HIS . 18.3 mm -121.88 -48.2 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 48.0 mt -102.7 -25.26 13.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 102.91 10.86 36.16 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.527 1.142 . . . . 0.0 110.962 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.461 ' N ' ' HA ' ' A' ' 97' ' ' ASN . . . -166.51 -176.76 3.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.433 0.725 . . . . 0.0 109.311 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.411 ' CG ' ' OG1' ' A' ' 93' ' ' THR . 47.0 t0 -85.19 132.5 34.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 55.9 m -73.9 160.55 31.24 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.6 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.1 m -72.14 141.64 84.01 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.984 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -61.09 -16.41 45.74 Favored 'Trans proline' 0 N--CA 1.446 -1.285 0 C-N-CA 124.342 3.362 . . . . 0.0 109.601 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 60.8 p -89.45 -38.89 13.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.976 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -61.7 -23.08 65.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 110.315 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.454 ' C ' ' N ' ' A' ' 111' ' ' ASN . 36.8 mtmt -88.01 -56.9 3.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.47 ' HB3' ' CB ' ' A' ' 12' ' ' TYR . . . -40.28 -29.44 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.454 ' N ' ' C ' ' A' ' 109' ' ' LYS . 0.3 OUTLIER -79.49 -58.1 3.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.634 ' CE2' ' CD2' ' A' ' 116' ' ' LEU . 78.9 t80 -46.55 -44.58 18.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.978 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.465 HG23 ' CG2' ' A' ' 9' ' ' VAL . 1.3 mt -56.93 -35.94 48.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 117' ' ' LEU . . . -67.35 -67.79 0.43 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.15 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.505 ' CZ ' ' HG2' ' A' ' 32' ' ' LYS . 1.3 t80 -45.02 -31.11 1.2 Allowed 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.796 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.634 ' CD2' ' CE2' ' A' ' 112' ' ' PHE . 0.4 OUTLIER -73.21 -40.96 64.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 114' ' ' ALA . 1.1 pp -92.31 23.12 4.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.468 ' CG2' ' O ' ' A' ' 118' ' ' THR . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.45 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.1 m . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.348 -0.241 . . . . 0.0 110.348 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.506 ' N ' ' ND2' ' A' ' 4' ' ' ASN . 0.3 OUTLIER -81.87 -50.48 9.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.464 ' HB3' ' CD2' ' A' ' 117' ' ' LEU . . . -51.9 -52.12 52.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -60.67 -35.46 76.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.29 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 11' ' ' LYS . 0.7 OUTLIER -62.63 -50.35 71.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.474 HD12 ' CG1' ' A' ' 88' ' ' VAL . 6.5 mt -52.38 -45.6 65.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.336 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.454 ' O ' ' CB ' ' A' ' 13' ' ' THR . 82.7 t -58.81 -56.84 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.255 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -69.38 -5.03 20.83 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.813 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 7' ' ' LYS . 19.3 mmtt -97.73 -72.05 0.66 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.353 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -52.48 -21.06 3.35 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.859 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.48 ' CG2' ' O ' ' A' ' 24' ' ' GLU . 24.1 m -77.27 -49.86 14.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.38 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.53 -54.99 39.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.7 mt -50.74 -51.77 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.404 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . . . -50.94 -56.83 10.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -59.64 -31.44 69.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.648 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 43.3 t -70.34 -14.16 62.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.017 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -101.48 -40.92 6.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -139.13 126.15 12.88 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.33 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -70.11 -3.27 11.9 Favored 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.282 3.321 . . . . 0.0 109.602 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -82.91 -41.17 19.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.404 ' CD1' ' HB3' ' A' ' 16' ' ' ALA . 34.0 t80 -82.81 129.53 35.0 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.818 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.48 ' O ' ' CG2' ' A' ' 13' ' ' THR . 2.7 mt-10 -121.76 -44.1 2.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.272 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.469 ' CB ' ' CD ' ' A' ' 26' ' ' PRO . . . -165.52 176.35 2.03 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.469 ' CD ' ' CB ' ' A' ' 25' ' ' ALA . 13.4 Cg_exo -72.17 173.77 12.45 Favored 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.332 3.354 . . . . 0.0 109.618 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.441 ' C ' ' N ' ' A' ' 29' ' ' THR . 0.1 OUTLIER -145.09 18.46 1.59 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 109.988 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.468 ' C ' ' CE2' ' A' ' 115' ' ' TYR . 24.0 pt 40.21 29.91 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.322 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.459 ' CG2' ' O ' ' A' ' 29' ' ' THR . 2.0 m -138.94 11.8 2.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 110.365 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.84 -37.32 3.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.456 ' N ' ' OD1' ' A' ' 111' ' ' ASN . . . -77.85 53.6 3.72 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.515 1.134 . . . . 0.0 111.019 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.501 ' HG2' ' CZ ' ' A' ' 115' ' ' TYR . 0.1 OUTLIER -134.51 -65.98 0.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 0.75 . . . . 0.0 109.317 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 43.9 mt -67.39 -28.93 43.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.255 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.446 ' CZ ' ' OE1' ' A' ' 108' ' ' GLU . 45.7 t80 -71.59 -19.05 62.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.968 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.58 ' CD1' ' HB2' ' A' ' 49' ' ' CYS . 81.2 t80 -107.99 7.23 27.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.59 1.181 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 3.7 m-80 -137.32 21.18 2.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.258 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.3 ttt85 -96.96 115.34 27.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.307 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.8 ttmm -71.01 97.68 1.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.437 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 32.1 p90 -106.21 162.74 13.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 111.023 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.424 ' HG2' ' N ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -106.75 137.87 43.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -111.11 149.04 39.92 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.405 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -80.54 45.47 1.99 Allowed 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 124.35 3.367 . . . . 0.0 109.621 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.5 t 179.69 57.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.025 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 151.04 -98.36 0.18 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.491 1.119 . . . . 0.0 111.03 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.522 ' O ' ' C ' ' A' ' 46' ' ' GLU . 0.1 OUTLIER 175.72 172.7 0.32 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 0.754 . . . . 0.0 109.311 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.522 ' C ' ' O ' ' A' ' 45' ' ' LYS . 0.2 OUTLIER -28.14 136.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.295 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -149.07 -170.2 3.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.437 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -171.87 148.64 2.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.259 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.58 ' HB2' ' CD1' ' A' ' 35' ' ' PHE . 33.6 m -62.25 -15.3 46.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 108.293 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.447 ' O ' ' HA ' ' A' ' 54' ' ' THR . . . -98.6 4.08 48.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 109.34 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.408 ' OG ' ' O ' ' A' ' 48' ' ' ALA . 83.7 p -75.77 -27.26 57.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 109.995 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 65.6 m -120.18 -47.09 2.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.163 . . . . 0.0 108.324 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.512 ' O ' ' OG1' ' A' ' 54' ' ' THR . 65.4 m-70 -84.22 14.62 4.14 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.76 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.512 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 45.6 p 50.06 172.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 110.369 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -52.41 -23.38 5.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.246 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -133.33 128.49 20.32 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.483 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 83.6 Cg_endo -72.81 -40.67 1.8 Allowed 'Trans proline' 0 N--CA 1.448 -1.169 0 C-N-CA 124.317 3.345 . . . . 0.0 109.585 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.63 -16.61 11.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 109.305 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -88.98 173.83 8.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.1 t -75.71 118.94 22.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -89.5 -174.53 46.0 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.487 1.117 . . . . 0.0 111.036 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -161.39 135.63 6.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 0.754 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.442 ' ND2' ' CD1' ' A' ' 70' ' ' ILE . 87.2 m-20 -86.5 129.57 34.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 7.5 pt -83.42 5.91 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 71.0 t -86.24 -55.02 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.344 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 67.7 p -108.01 -33.31 7.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.105 . . . . 0.0 110.39 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 81.07 36.97 20.13 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.7 -95.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.771 . . . . 0.0 109.338 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -178.62 122.86 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.332 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.442 ' CD1' ' ND2' ' A' ' 63' ' ' ASN . 3.0 mm -108.42 107.12 59.86 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -49.84 165.76 0.29 Allowed 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 124.282 3.322 . . . . 0.0 109.651 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.439 ' O ' ' ND2' ' A' ' 78' ' ' ASN . 1.4 Cg_endo -42.47 126.69 4.09 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.337 3.358 . . . . 0.0 109.575 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 75' ' ' PRO . 7.4 tp -76.89 -31.49 56.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.458 ' CB ' ' HB ' ' A' ' 77' ' ' VAL . . . -37.98 98.28 0.16 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.575 ' HB3' ' CD1' ' A' ' 82' ' ' PHE . 24.0 Cg_exo -63.3 -15.97 51.57 Favored 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.378 3.385 . . . . 0.0 109.603 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -96.92 -44.36 7.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.321 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.458 ' HB ' ' CB ' ' A' ' 74' ' ' ALA . 41.5 t -54.85 -40.51 52.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 72' ' ' PRO . 0.5 OUTLIER -93.86 136.49 34.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.279 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.3 p -84.79 -3.61 58.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.374 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 11.9 mttm -111.15 43.75 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.248 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.453 ' CB ' ' HA ' ' A' ' 75' ' ' PRO . 46.6 mmt-85 -144.65 170.38 16.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.293 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.575 ' CD1' ' HB3' ' A' ' 75' ' ' PRO . 1.9 m-30 37.92 68.54 0.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 11.7 m -108.32 -68.44 0.91 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.443 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 52.9 t0 -76.64 114.47 15.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.48 ' CG1' ' HB3' ' A' ' 4' ' ' ASN . 9.3 mt -61.93 -41.63 91.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.56 -70.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 88' ' ' VAL . 7.5 tttt -45.6 -66.61 0.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.474 ' CG1' HD12 ' A' ' 8' ' ' LEU . 0.9 OUTLIER -37.86 -41.04 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.317 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -98.85 72.3 1.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.317 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -174.46 -68.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.348 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.496 ' HG3' ' N ' ' A' ' 92' ' ' PHE . 7.0 pt-20 -57.44 -36.67 71.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.548 ' CD1' ' HD2' ' A' ' 109' ' ' LYS . 0.1 OUTLIER -47.1 -32.85 4.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -85.0 -44.62 12.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.411 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.12 -23.1 66.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.461 ' O ' ' CG1' ' A' ' 99' ' ' ILE . 1.9 t60 -68.98 -56.73 6.89 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.784 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 21.0 m -62.2 -30.52 71.14 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.331 -0.85 . . . . 0.0 109.571 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -76.86 -16.74 59.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -119.5 15.9 12.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.461 ' CG1' ' O ' ' A' ' 95' ' ' HIS . 7.0 mm -131.76 -44.95 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.5 mt -103.77 -36.97 7.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 111.21 18.53 8.12 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.508 1.13 . . . . 0.0 110.969 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -163.85 -176.48 4.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 0.789 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.409 ' O ' ' O ' ' A' ' 104' ' ' CYS . 2.3 t0 -97.25 109.11 21.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . 0.409 ' O ' ' O ' ' A' ' 103' ' ' ASP . 6.1 m -43.41 164.91 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.59 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' SER . . . . . 0.461 ' O ' ' HG3' ' A' ' 108' ' ' GLU . 10.4 p -84.13 153.24 62.88 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.997 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -69.69 -8.96 24.95 Favored 'Trans proline' 0 N--CA 1.446 -1.278 0 C-N-CA 124.328 3.352 . . . . 0.0 109.615 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 60.5 p -93.46 -46.45 7.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 0.0 109.99 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.47 ' CD ' ' C ' ' A' ' 108' ' ' GLU . 1.6 pp20? -64.8 -19.71 65.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.3 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.548 ' HD2' ' CD1' ' A' ' 92' ' ' PHE . 2.8 tppp? -75.8 -62.88 1.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -51.3 -26.09 6.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.456 ' OD1' ' N ' ' A' ' 31' ' ' GLY . 5.7 t-20 -72.14 -64.13 1.0 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.334 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.651 ' CE2' ' CD1' ' A' ' 116' ' ' LEU . 89.5 t80 -43.67 -45.65 7.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 110.959 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.401 ' O ' ' HG ' ' A' ' 117' ' ' LEU . 1.9 mt -55.48 -42.07 66.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 116' ' ' LEU . . . -60.13 -73.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.501 ' CZ ' ' HG2' ' A' ' 32' ' ' LYS . 0.2 OUTLIER -39.55 -29.02 0.05 OUTLIER 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.047 -0.979 . . . . 0.0 109.841 -179.938 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.651 ' CD1' ' CE2' ' A' ' 112' ' ' PHE . 13.8 mt -76.24 -51.51 11.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.464 ' CD2' ' HB3' ' A' ' 5' ' ' ALA . 11.8 mt -64.83 -19.95 66.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 110.42 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 110.345 -0.242 . . . . 0.0 110.345 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.5 ' N ' ' ND2' ' A' ' 4' ' ' ASN . 0.5 OUTLIER -75.4 -46.1 34.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -49.81 -47.87 51.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -66.89 -32.15 73.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 110.336 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.54 -46.57 72.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 0.0 109.256 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.9 mt -55.39 -49.31 72.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.261 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.437 ' O ' ' CB ' ' A' ' 13' ' ' THR . 73.5 t -57.01 -51.02 74.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -71.33 -3.32 20.01 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.791 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -102.14 -73.4 0.66 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -48.77 -22.79 0.87 Allowed 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.855 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.437 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 48.2 m -77.61 -50.62 12.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.38 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -59.89 -54.09 50.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.0 mt -49.02 -48.95 16.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.457 ' O ' ' ND2' ' A' ' 20' ' ' ASN . . . -60.19 -51.06 71.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.447 ' ND1' ' O ' ' A' ' 23' ' ' TYR . 72.4 t60 -58.01 -29.32 65.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.595 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 28.0 t -71.07 -23.67 62.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.0 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -87.92 -37.98 15.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 16' ' ' ALA . 0.2 OUTLIER -140.33 129.17 13.14 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -84.87 40.82 0.87 Allowed 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 124.303 3.335 . . . . 0.0 109.627 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.4 ptt? -141.39 32.56 1.69 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 111.037 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.447 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 77.8 t80 -153.11 111.76 3.71 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.849 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -93.15 -47.98 6.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 0.0 110.345 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.464 ' CB ' ' CD ' ' A' ' 26' ' ' PRO . . . -165.35 175.83 2.28 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.464 ' CD ' ' CB ' ' A' ' 25' ' ' ALA . 16.8 Cg_exo -70.83 -174.04 1.02 Allowed 'Trans proline' 0 N--CA 1.447 -1.255 0 C-N-CA 124.336 3.357 . . . . 0.0 109.609 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.48 20.35 0.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.954 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 31.4 pt 41.76 49.1 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 89.0 m -151.94 35.82 0.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.117 . . . . 0.0 110.335 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -142.24 -47.12 0.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.354 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -49.35 -23.75 4.6 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 111.035 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.425 ' HD2' ' N ' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -74.94 -42.05 58.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 0.751 . . . . 0.0 109.319 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.522 ' CG2' ' O ' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -88.26 7.83 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.513 ' CG ' ' O ' ' A' ' 34' ' ' PHE . 80.0 t80 -126.47 31.23 5.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.568 ' CD1' ' HB2' ' A' ' 49' ' ' CYS . 34.2 t80 -146.46 -40.66 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -100.76 -5.23 26.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.411 ' HB2' ' O ' ' A' ' 33' ' ' ILE . 22.3 ttt85 -68.15 96.48 0.64 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -55.41 100.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.588 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 29.0 p90 -106.26 162.25 13.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 110.965 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.6 ttmt -103.59 153.44 20.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 43.6 p -107.97 153.46 41.67 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 110.429 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -65.13 -7.84 16.68 Favored 'Trans proline' 0 N--CA 1.447 -1.259 0 C-N-CA 124.342 3.361 . . . . 0.0 109.625 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 p -104.15 32.75 3.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 110.003 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 38.48 78.57 0.05 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.455 1.097 . . . . 0.0 111.021 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.6 tttp -179.84 88.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 0.781 . . . . 0.0 109.266 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.67 153.51 0.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -160.93 -169.26 2.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.588 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -172.82 157.5 3.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.568 ' HB2' ' CD1' ' A' ' 35' ' ' PHE . 49.5 m -72.93 -10.34 59.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 108.31 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.423 ' HA ' ' O ' ' A' ' 54' ' ' THR . . . -102.27 1.69 36.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.401 ' HB2' ' O ' ' A' ' 48' ' ' ALA . 0.4 OUTLIER -81.73 -15.27 54.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.99 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 26.4 m -128.61 -48.01 1.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 108.261 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.494 ' O ' ' O ' ' A' ' 54' ' ' THR . 84.3 m-70 -89.76 17.82 6.2 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.761 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.494 ' O ' ' O ' ' A' ' 53' ' ' HIS . 66.2 p 49.39 172.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 110.362 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -56.78 -24.08 47.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.107 . . . . 0.0 109.269 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -131.65 126.94 21.26 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.367 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -71.32 -41.66 2.36 Favored 'Trans proline' 0 N--CA 1.447 -1.237 0 C-N-CA 124.281 3.321 . . . . 0.0 109.641 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.23 -17.37 7.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.271 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -89.42 172.91 8.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 74.1 t -76.07 121.8 28.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.26 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 70' ' ' ILE . . . -88.97 -173.6 46.59 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.507 1.129 . . . . 0.0 111.002 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.7 ttmt -163.96 135.08 4.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 0.792 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.426 ' ND2' ' CD1' ' A' ' 70' ' ' ILE . 90.4 m-20 -86.61 130.12 34.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.6 pt -84.56 6.22 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 58.8 t -87.43 -53.52 9.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.268 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 71.1 p -108.99 -33.34 6.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 110.428 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 80.86 35.6 24.4 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.467 1.104 . . . . 0.0 111.025 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.406 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 2.4 mmtp -81.35 -95.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 0.772 . . . . 0.0 109.244 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.406 ' HB3' ' O ' ' A' ' 68' ' ' LYS . 12.0 pt-20 -179.95 123.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' ' 61' ' ' GLY . 1.8 mm -114.78 92.26 29.1 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -45.73 164.82 0.07 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.321 3.347 . . . . 0.0 109.607 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -34.2 134.41 0.13 Allowed 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.319 3.346 . . . . 0.0 109.626 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 74' ' ' ALA . 7.1 tp -98.56 -26.56 14.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 73' ' ' LEU . . . -35.88 115.67 0.6 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.577 ' HB2' ' CD2' ' A' ' 82' ' ' PHE . 72.2 Cg_endo -80.32 45.26 1.92 Allowed 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.299 3.333 . . . . 0.0 109.594 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 10.7 ttt180 -154.37 -57.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 110.26 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 18.9 t -44.85 -41.07 2.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.458 ' N ' ' OD1' ' A' ' 78' ' ' ASN . 0.4 OUTLIER -103.72 141.77 35.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 16.9 p -85.07 -0.49 54.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.434 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.48 43.8 1.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.259 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 38.6 mmt-85 -142.73 162.41 35.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.577 ' CD2' ' HB2' ' A' ' 75' ' ' PRO . 2.1 m-30 39.08 57.81 1.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 111.034 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.499 ' O ' ' CG2' ' A' ' 83' ' ' THR . 1.7 m -129.62 54.62 1.82 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.372 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.435 ' C ' ' N ' ' A' ' 86' ' ' ASP . 39.9 p-10 177.31 66.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.485 ' CG1' ' HB3' ' A' ' 4' ' ' ASN . 4.3 mp -40.28 -30.07 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.435 ' N ' ' C ' ' A' ' 84' ' ' ASP . 0.6 OUTLIER -54.95 -69.98 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.9 mttp -75.95 66.31 2.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.333 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 1.1 t -150.76 -49.85 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.39 59.97 0.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.315 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 170.22 -45.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.265 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -58.43 -16.36 14.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.54 ' CD1' ' HD2' ' A' ' 109' ' ' LYS . 0.2 OUTLIER -91.86 -23.14 19.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.997 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.492 ' CG2' ' OD2' ' A' ' 103' ' ' ASP . 1.0 OUTLIER -90.0 -36.67 14.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.432 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt -70.55 -28.82 65.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.477 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.2 t60 -70.88 -59.33 2.85 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.768 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . 0.4 ' C ' ' O ' ' A' ' 102' ' ' ALA . 10.1 m -55.85 -22.23 24.04 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.342 -0.844 . . . . 0.0 109.619 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -83.62 -11.07 57.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -120.78 9.19 10.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.477 HG13 ' CE1' ' A' ' 95' ' ' HIS . 45.8 mm -125.64 -44.43 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.412 HD22 ' CE1' ' A' ' 39' ' ' PHE . 50.3 mt -105.2 -29.21 10.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 103.64 13.94 26.66 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.118 . . . . 0.0 111.01 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 96' ' ' CYS . . . -164.09 -176.69 4.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 0.755 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.492 ' OD2' ' CG2' ' A' ' 93' ' ' THR . 28.9 t0 -90.95 125.52 35.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 25.3 m -62.31 160.52 13.08 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.583 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.0 m -74.78 145.62 81.87 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.477 1.111 . . . . 0.0 109.974 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -60.48 -17.58 48.9 Favored 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 124.32 3.347 . . . . 0.0 109.585 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 78.3 p -86.78 -40.62 14.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.982 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -70.17 -8.18 47.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.345 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.54 ' HD2' ' CD1' ' A' ' 92' ' ' PHE . 0.1 OUTLIER -83.38 -60.54 2.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -55.62 -34.15 64.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -57.35 -64.39 0.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.646 ' CE2' ' CD1' ' A' ' 116' ' ' LEU . 70.8 t80 -49.8 -43.22 48.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 1.7 mt -56.29 -38.68 56.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 117' ' ' LEU . . . -66.22 -68.5 0.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.418 ' CZ ' ' HB3' ' A' ' 32' ' ' LYS . 0.3 OUTLIER -44.58 -34.56 2.19 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.021 -0.991 . . . . 0.0 109.832 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.646 ' CD1' ' CE2' ' A' ' 112' ' ' PHE . 7.9 mt -70.78 -41.86 71.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.452 ' O ' ' CD1' ' A' ' 117' ' ' LEU . 1.1 pp -90.78 17.69 7.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 23.2 m . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.4 179.979 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.9 m . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.438 -0.208 . . . . 0.0 110.438 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.561 ' N ' HD21 ' A' ' 4' ' ' ASN . 0.9 OUTLIER -90.42 -54.98 3.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.489 ' HB2' ' CD2' ' A' ' 117' ' ' LEU . . . -49.36 -51.03 37.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.7 tp10 -52.58 -40.88 63.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 110.272 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.416 ' HD2' ' N ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -62.7 -54.24 42.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.28 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.416 ' N ' ' HD2' ' A' ' 7' ' ' LYS . 11.5 mt -47.93 -39.81 20.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.468 HG21 ' CG2' ' A' ' 113' ' ' ILE . 44.4 t -67.02 -49.56 72.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -71.51 -2.7 17.75 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.835 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.8 mptt -104.71 -75.79 0.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -45.35 -25.15 0.36 Allowed 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.843 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.443 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 54.1 m -74.94 -55.46 5.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.347 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -54.55 -56.51 18.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.7 mt -47.48 -50.95 7.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.18 -48.54 78.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.448 ' ND1' ' O ' ' A' ' 23' ' ' TYR . 74.2 t60 -62.11 -31.39 71.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.592 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 37.6 t -70.34 -20.47 62.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.004 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -97.31 -33.68 11.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.417 ' ND2' ' HG2' ' A' ' 22' ' ' MET . 0.1 OUTLIER -138.0 115.42 9.42 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -77.89 41.88 1.08 Allowed 'Trans proline' 0 N--CA 1.448 -1.178 0 C-N-CA 124.284 3.322 . . . . 0.0 109.61 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.417 ' HG2' ' ND2' ' A' ' 20' ' ' ASN . 9.5 ptm -144.49 33.02 1.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 111.021 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.448 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 72.7 t80 -152.6 114.96 4.46 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 114.953 -1.021 . . . . 0.0 109.825 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -95.75 -48.65 5.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.313 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.473 ' CB ' ' CD ' ' A' ' 26' ' ' PRO . . . -160.76 176.8 2.33 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.425 1.078 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.473 ' CD ' ' CB ' ' A' ' 25' ' ' ALA . 24.6 Cg_exo -68.04 167.22 22.31 Favored 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.37 3.38 . . . . 0.0 109.606 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.412 ' O ' ' CG1' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -132.45 13.64 4.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.954 -179.924 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.412 ' CG1' ' O ' ' A' ' 27' ' ' SER . 46.2 pt 44.7 56.61 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 52.0 m -140.46 -53.51 0.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.407 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -64.61 -27.12 68.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.152 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.532 ' HA2' ' CD2' ' A' ' 115' ' ' TYR . . . -70.5 57.95 0.91 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.468 1.105 . . . . 0.0 110.987 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.505 ' HG2' ' CZ ' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -156.01 -64.64 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 0.756 . . . . 0.0 109.298 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 55.6 mt -63.62 -52.17 60.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -54.34 -20.59 7.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 111.012 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.427 ' O ' ' OD1' ' A' ' 36' ' ' ASN . 82.1 t80 -108.13 5.77 26.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 110.966 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.427 ' OD1' ' O ' ' A' ' 35' ' ' PHE . 84.2 m-20 -143.81 27.57 1.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -107.8 94.86 5.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.279 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.4 ttpp -49.49 94.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.576 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 24.4 p90 -98.49 164.5 12.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 67.6 tttt -107.42 140.68 39.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 19.4 p -97.36 154.24 38.11 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.378 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -63.96 -7.62 13.81 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.332 3.355 . . . . 0.0 109.556 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 44' ' ' GLY . 1.1 p -105.31 32.42 4.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.035 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 43' ' ' SER . . . 37.7 81.68 0.02 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 179.53 82.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 0.746 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -41.68 153.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -164.36 -176.04 4.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.576 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -162.09 155.95 21.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.541 ' O ' ' HB2' ' A' ' 53' ' ' HIS . 85.8 m -69.8 -9.48 54.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 108.302 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.473 ' O ' ' HA ' ' A' ' 54' ' ' THR . . . -110.44 10.51 23.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.58 -40.28 56.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.995 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 43.4 m -109.57 -32.77 7.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 108.296 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.541 ' HB2' ' O ' ' A' ' 49' ' ' CYS . 70.7 m-70 -94.26 13.7 22.62 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.785 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.512 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 47.7 p 50.2 172.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.112 . . . . 0.0 110.388 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.471 ' HA ' ' CB ' ' A' ' 50' ' ' ALA . 4.6 p30 -59.25 -18.05 33.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -131.2 126.27 21.38 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -71.7 -48.21 0.42 Allowed 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.271 3.314 . . . . 0.0 109.652 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.16 -19.72 3.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -84.41 178.28 7.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 38.5 t -79.03 153.35 4.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -127.97 -174.98 13.91 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.486 1.116 . . . . 0.0 110.982 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -176.72 132.53 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 0.765 . . . . 0.0 109.255 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -80.45 136.49 36.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.0 pt -88.69 12.45 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 109.272 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 55.9 t -92.67 -54.78 6.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 72.5 p -102.74 -30.81 10.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.39 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 85.63 43.55 6.44 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.488 1.117 . . . . 0.0 111.028 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.61 -169.17 2.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.55 0.794 . . . . 0.0 109.35 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -121.09 98.83 6.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.276 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.8 mm -83.22 135.46 44.42 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.466 ' CB ' ' HD2' ' A' ' 72' ' ' PRO . 72.9 Cg_endo -76.81 170.13 20.42 Favored 'Trans proline' 0 N--CA 1.448 -1.175 0 C-N-CA 124.271 3.314 . . . . 0.0 109.593 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.466 ' HD2' ' CB ' ' A' ' 71' ' ' PRO . 6.1 Cg_endo -46.07 131.13 13.96 Favored 'Trans proline' 0 N--CA 1.447 -1.26 0 C-N-CA 124.261 3.307 . . . . 0.0 109.64 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.455 ' O ' ' C ' ' A' ' 74' ' ' ALA . 9.1 tp -86.86 -27.89 23.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.341 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.455 ' C ' ' O ' ' A' ' 73' ' ' LEU . . . -36.5 114.58 0.62 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.636 ' HB2' ' CD2' ' A' ' 82' ' ' PHE . 84.2 Cg_endo -79.48 47.76 2.62 Favored 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.319 3.346 . . . . 0.0 109.626 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.423 ' NH1' ' HB3' ' A' ' 117' ' ' LEU . 13.7 ttm180 -159.73 -58.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.256 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 31.4 t -42.58 -42.39 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.269 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.507 ' OD1' ' N ' ' A' ' 78' ' ' ASN . 0.4 OUTLIER -118.92 114.25 22.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 19.4 p -58.25 -16.37 13.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.42 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.5 mmpt? -64.53 -21.62 66.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.443 ' CB ' ' HA ' ' A' ' 75' ' ' PRO . 19.0 mmt-85 -80.1 159.53 26.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.636 ' CD2' ' HB2' ' A' ' 75' ' ' PRO . 5.8 m-30 45.75 57.79 4.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.986 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 44.5 m -79.71 -63.87 1.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.467 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -90.52 102.94 15.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.407 ' CD1' ' HB3' ' A' ' 4' ' ' ASN . 6.4 tt -71.79 -5.0 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -89.01 -37.49 15.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.137 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 89' ' ' GLU . 13.7 mttt -86.33 -57.19 3.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.513 HG23 ' CD1' ' A' ' 82' ' ' PHE . 0.4 OUTLIER -39.88 -30.01 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 87' ' ' LYS . 30.5 mt-10 -72.06 -54.73 8.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.57 1.168 . . . . 0.0 110.325 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -65.23 -49.87 68.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -48.16 -44.16 32.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.343 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.544 ' CG ' ' HD2' ' A' ' 109' ' ' LYS . 0.1 OUTLIER -56.86 -27.11 59.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 111.017 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.1 m -88.22 -36.9 16.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.44 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.21 -25.58 59.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.465 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.4 t60 -70.25 -59.97 2.56 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.78 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . 0.427 ' C ' ' O ' ' A' ' 102' ' ' ALA . 3.7 m -56.15 -21.62 23.82 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.564 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -84.7 -12.82 53.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.06 6.38 11.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.465 HG13 ' CE1' ' A' ' 95' ' ' HIS . 46.3 mm -122.22 -49.03 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.411 HD22 ' CE1' ' A' ' 39' ' ' PHE . 64.5 mt -99.53 -32.15 11.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 107.11 14.93 17.45 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.461 1.101 . . . . 0.0 110.956 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.427 ' O ' ' C ' ' A' ' 96' ' ' CYS . . . -167.39 -170.85 1.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 0.78 . . . . 0.0 109.285 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -95.3 121.09 36.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 64.1 m -60.92 161.74 7.84 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.562 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' SER . . . . . 0.476 ' OG ' ' CG ' ' A' ' 108' ' ' GLU . 53.2 p -77.48 143.31 68.13 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.975 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -59.41 -15.23 28.84 Favored 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.323 3.349 . . . . 0.0 109.614 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 79.6 p -85.16 -43.83 13.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.986 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.476 ' CG ' ' OG ' ' A' ' 105' ' ' SER . 2.7 mm-40 -69.04 -8.78 48.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 110.349 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.544 ' HD2' ' CG ' ' A' ' 92' ' ' PHE . 2.5 tppt? -88.16 -65.69 0.99 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -49.91 -22.04 1.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.413 ' N ' ' C ' ' A' ' 109' ' ' LYS . 0.2 OUTLIER -76.77 -53.91 7.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.594 ' CE2' HD23 ' A' ' 116' ' ' LEU . 40.3 t80 -56.85 -44.95 82.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 111.025 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.468 ' CG2' HG21 ' A' ' 9' ' ' VAL . 1.5 mt -56.38 -42.03 73.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 115' ' ' TYR . . . -57.93 -76.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.532 ' CD2' ' HA2' ' A' ' 31' ' ' GLY . 0.2 OUTLIER -36.87 -42.12 0.37 Allowed 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.869 -179.913 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.594 HD23 ' CE2' ' A' ' 112' ' ' PHE . 1.8 mp -61.12 -60.99 2.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.489 ' CD2' ' HB2' ' A' ' 5' ' ' ALA . 55.5 mt -51.15 -33.77 28.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 110.426 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.1 m . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.4 -0.222 . . . . 0.0 110.4 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.57 ' N ' HD21 ' A' ' 4' ' ' ASN . 0.9 OUTLIER -90.8 -56.1 3.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.259 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -46.27 -39.86 10.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.143 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -65.14 -37.91 88.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.281 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 4' ' ' ASN . 0.0 OUTLIER -60.91 -53.58 55.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.157 . . . . 0.0 109.35 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.472 HD23 ' CG1' ' A' ' 85' ' ' ILE . 5.8 mt -49.29 -51.48 33.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.459 ' O ' ' CB ' ' A' ' 13' ' ' THR . 87.3 t -54.71 -52.57 40.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 18.5 t80 -72.51 0.65 9.81 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.82 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -105.46 -74.45 0.65 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.462 ' HB2' ' CB ' ' A' ' 110' ' ' ALA . 94.8 m-85 -49.4 -24.64 2.04 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.847 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.459 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 52.3 m -74.66 -47.7 30.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.394 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 53.6 t-20 -58.3 -52.95 63.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.2 mt -52.42 -48.68 45.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.43 -41.5 89.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.487 ' ND1' ' O ' ' A' ' 23' ' ' TYR . 15.9 t60 -67.67 -31.58 71.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.609 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 46.5 t -66.39 -24.43 66.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.99 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.24 -36.27 13.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.288 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.413 ' O ' ' HA ' ' A' ' 17' ' ' HIS . 11.5 t-20 -135.27 118.78 12.98 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.26 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -81.64 40.56 1.0 Allowed 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 124.286 3.324 . . . . 0.0 109.618 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.7 mtt -145.28 37.57 1.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 110.983 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.487 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 55.7 t80 -147.42 120.32 8.73 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.821 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -100.16 -45.86 5.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 110.285 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.473 ' CB ' ' CD ' ' A' ' 26' ' ' PRO . . . -168.36 176.42 1.53 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.085 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.473 ' CD ' ' CB ' ' A' ' 25' ' ' ALA . 17.2 Cg_exo -70.46 179.85 3.76 Favored 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 124.315 3.343 . . . . 0.0 109.606 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -135.49 22.94 3.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.978 -179.881 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.428 ' C ' ' O ' ' A' ' 27' ' ' SER . 16.8 pt 37.43 45.17 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.494 ' CG2' ' O ' ' A' ' 29' ' ' THR . 3.4 m -162.11 33.52 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.403 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -133.3 -46.75 0.83 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.442 ' O ' ' CB ' ' A' ' 35' ' ' PHE . . . -50.57 -37.6 33.79 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.449 1.093 . . . . 0.0 110.964 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.566 ' HG2' ' CE1' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -51.48 -69.59 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 0.766 . . . . 0.0 109.315 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 29.7 mt -48.55 -57.89 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.558 ' CZ ' ' OE2' ' A' ' 108' ' ' GLU . 20.2 t80 -53.68 -20.57 5.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.96 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.565 ' CE2' ' HD3' ' A' ' 57' ' ' PRO . 85.7 t80 -108.33 5.37 25.46 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 32' ' ' LYS . 3.5 m-80 -142.21 25.59 1.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 39' ' ' PHE . 2.9 tpm_? -107.54 96.7 6.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.334 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.7 ttpt -49.66 94.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.523 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 25.3 p90 -98.91 165.32 11.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.987 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -105.59 143.71 33.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 45' ' ' LYS . 43.3 p -97.88 153.95 38.0 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.359 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.439 ' CG ' ' HA2' ' A' ' 101' ' ' GLY . 72.2 Cg_endo -67.4 -4.54 12.05 Favored 'Trans proline' 0 N--CA 1.448 -1.2 0 C-N-CA 124.275 3.317 . . . . 0.0 109.629 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 p -107.28 31.03 5.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.021 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.403 ' O ' ' CB ' ' A' ' 45' ' ' LYS . . . 46.33 82.81 0.03 OUTLIER Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.5 1.125 . . . . 0.0 110.966 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.403 ' CB ' ' O ' ' A' ' 44' ' ' GLY . 2.6 tttt 170.95 111.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 0.792 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.47 154.2 41.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -163.96 176.98 8.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.523 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -154.68 151.63 28.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.531 ' HB2' ' CD1' ' A' ' 35' ' ' PHE . 56.4 m -64.08 -14.75 56.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 108.328 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.44 ' O ' ' HA ' ' A' ' 54' ' ' THR . . . -100.6 5.2 43.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 84.3 p -74.08 -30.67 62.47 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.431 1.082 . . . . 0.0 110.026 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 57.7 m -116.99 -43.91 2.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 108.284 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.509 ' O ' ' OG1' ' A' ' 54' ' ' THR . 65.8 m-70 -85.7 15.03 5.03 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.754 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.509 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 39.4 p 49.98 174.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 110.353 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -56.16 -25.3 46.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -128.53 122.64 21.86 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.145 . . . . 0.0 109.345 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.565 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 55.4 Cg_endo -68.84 -43.78 3.31 Favored 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.322 3.348 . . . . 0.0 109.557 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.44 -18.37 2.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.404 ' N ' ' C ' ' A' ' 57' ' ' PRO . 9.6 t-20 -85.49 -178.83 6.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 25.5 t -85.32 115.76 27.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 70' ' ' ILE . . . -76.91 -164.39 20.27 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.449 1.093 . . . . 0.0 111.007 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.481 ' CG ' ' O ' ' A' ' 68' ' ' LYS . 0.1 OUTLIER -175.54 118.79 0.17 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 0.754 . . . . 0.0 109.331 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -71.02 126.69 30.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 10.8 pt -79.13 1.77 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 94.6 t -79.64 -51.3 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.337 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 70.1 p -108.96 -29.55 8.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.379 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 87.04 44.02 5.8 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.479 1.112 . . . . 0.0 111.012 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.481 ' O ' ' CG ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -98.28 -159.95 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.765 . . . . 0.0 109.307 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.445 ' N ' ' CD ' ' A' ' 69' ' ' GLU . 1.3 pm0 -125.69 105.28 8.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.282 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.433 ' O ' ' N ' ' A' ' 61' ' ' GLY . 2.1 mm -86.72 115.48 62.52 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -47.63 166.08 0.11 Allowed 'Trans proline' 0 N--CA 1.446 -1.27 0 C-N-CA 124.314 3.343 . . . . 0.0 109.589 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_exo -38.86 131.7 1.2 Allowed 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.292 3.328 . . . . 0.0 109.589 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 75' ' ' PRO . 3.0 tp -83.62 -33.12 25.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.344 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -39.52 99.81 0.2 Allowed Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.119 . . . . 0.0 109.346 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.565 ' HB3' ' CD1' ' A' ' 82' ' ' PHE . 26.6 Cg_exo -62.14 -11.28 21.24 Favored 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 124.343 3.362 . . . . 0.0 109.59 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.0 ttt180 -96.51 -47.76 5.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.2 t -48.19 -43.78 12.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.446 ' N ' ' OD1' ' A' ' 78' ' ' ASN . 0.3 OUTLIER -97.45 138.47 34.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.148 . . . . 0.0 109.325 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 21.2 p -86.06 -0.15 54.87 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.12 . . . . 0.0 110.434 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.19 47.45 1.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.49 ' CB ' ' HA ' ' A' ' 75' ' ' PRO . 54.4 mmt-85 -136.69 -94.24 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.565 ' CD1' ' HB3' ' A' ' 75' ' ' PRO . 2.0 m-30 -67.3 67.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.429 ' N ' ' O ' ' A' ' 81' ' ' ARG . 90.0 m -98.15 -60.0 1.64 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.098 . . . . 0.0 110.404 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -87.5 122.96 31.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.261 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.48 ' CG2' ' O ' ' A' ' 85' ' ' ILE . 8.9 tt -102.34 58.13 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.093 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -150.18 -50.96 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -88.44 -1.89 58.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -83.76 -26.82 7.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -72.74 -50.25 25.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.291 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -64.26 -47.88 77.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.432 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 4.5 mm-40 -55.3 -20.36 11.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.285 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.41 ' CD1' ' HE2' ' A' ' 109' ' ' LYS . 0.1 OUTLIER -85.95 -29.89 23.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 110.994 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.474 ' CG2' ' OD2' ' A' ' 103' ' ' ASP . 0.9 OUTLIER -86.01 -40.16 16.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.378 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.2 mmtp -64.77 -32.06 73.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.493 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.4 t60 -65.62 -59.73 3.65 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.749 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . 0.434 ' C ' ' O ' ' A' ' 102' ' ' ALA . 2.6 m -54.52 -25.04 23.24 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.543 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.469 ' HA ' ' N ' ' A' ' 102' ' ' ALA . 1.7 m-80 -78.18 -15.65 58.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.3 -1.21 15.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.493 HG13 ' CE1' ' A' ' 95' ' ' HIS . 26.7 mm -113.77 -57.03 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.261 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 43.3 mt -91.85 -21.27 20.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.0 109.261 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.439 ' HA2' ' CG ' ' A' ' 42' ' ' PRO . . . 95.87 11.65 54.51 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.53 1.144 . . . . 0.0 111.026 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.469 ' N ' ' HA ' ' A' ' 97' ' ' ASN . . . -162.38 -168.5 1.87 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.474 ' OD2' ' CG2' ' A' ' 93' ' ' THR . 14.1 t0 -94.87 125.54 39.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 45.7 m -65.02 163.13 15.32 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.613 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' SER . . . . . 0.463 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 16.1 t -77.93 150.05 77.72 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 109.981 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 105' ' ' SER . 16.1 Cg_exo -66.75 -12.83 37.51 Favored 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.358 3.372 . . . . 0.0 109.599 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 76.7 p -89.63 -43.14 10.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.979 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.558 ' OE2' ' CZ ' ' A' ' 34' ' ' PHE . 10.2 pt-20 -69.83 -5.68 27.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.589 1.181 . . . . 0.0 110.285 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.429 ' C ' ' N ' ' A' ' 111' ' ' ASN . 8.4 mmtp -96.5 -66.81 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.462 ' CB ' ' HB2' ' A' ' 12' ' ' TYR . . . -43.97 -27.19 0.34 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 0.0 109.328 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.429 ' N ' ' C ' ' A' ' 109' ' ' LYS . 0.3 OUTLIER -73.77 -54.8 7.23 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.593 ' CE2' HD23 ' A' ' 116' ' ' LEU . 39.3 t80 -54.51 -45.85 73.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.105 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.451 ' CG2' HG21 ' A' ' 9' ' ' VAL . 1.6 mt -53.58 -39.88 39.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 117' ' ' LEU . . . -64.14 -64.99 0.74 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.566 ' CE1' ' HG2' ' A' ' 32' ' ' LYS . 1.3 t80 -45.81 -37.41 6.07 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.975 -1.011 . . . . 0.0 109.822 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.593 HD23 ' CE2' ' A' ' 112' ' ' PHE . 0.9 OUTLIER -68.98 -37.05 78.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.474 ' O ' ' CD1' ' A' ' 117' ' ' LEU . 1.1 pp -93.12 24.14 3.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.3 m . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.392 179.987 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 53.6 m . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 7' ' ' LYS . 1.5 m-80 -118.72 -65.83 1.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.25 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 4' ' ' ASN . . . -39.33 -43.47 1.17 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.573 1.171 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -53.81 -48.67 69.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 4' ' ' ASN . 0.0 OUTLIER -59.12 -52.57 65.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.462 ' HG ' ' CD1' ' A' ' 85' ' ' ILE . 12.5 mt -49.5 -45.16 46.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.467 HG22 ' CD2' ' A' ' 117' ' ' LEU . 49.0 t -62.93 -53.01 52.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.34 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -66.17 -10.34 40.37 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.833 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 7' ' ' LYS . 0.5 OUTLIER -94.61 -73.71 0.57 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -48.02 -24.61 1.12 Allowed 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.831 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.442 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 40.8 m -76.08 -49.36 17.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 110.435 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -61.16 -54.46 44.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.6 mt -46.75 -48.19 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.05 -54.6 44.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.413 ' HA ' ' O ' ' A' ' 20' ' ' ASN . 78.2 t60 -57.54 -30.43 65.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.586 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.2 t -70.94 -18.98 62.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.948 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -96.54 -39.95 9.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.357 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.413 ' O ' ' HA ' ' A' ' 17' ' ' HIS . 0.4 OUTLIER -140.95 125.19 10.47 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.27 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -68.89 -4.06 12.66 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.284 3.323 . . . . 0.0 109.569 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 3.5 mmt -79.21 -43.79 23.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.469 ' CE1' ' HB2' ' A' ' 107' ' ' SER . 23.4 t80 -79.2 126.55 30.9 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.85 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -123.5 -44.58 2.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -161.84 156.54 19.53 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -64.55 178.03 1.9 Allowed 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.284 3.322 . . . . 0.0 109.592 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.5 16.82 1.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.044 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.402 ' O ' ' OG1' ' A' ' 29' ' ' THR . 36.1 pt 42.52 54.1 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.49 ' CG2' ' O ' ' A' ' 29' ' ' THR . 3.2 m -163.08 38.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 110.389 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -144.61 -47.22 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' A' ' 35' ' ' PHE . . . -48.96 -54.68 13.52 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.45 1.094 . . . . 0.0 111.03 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.563 ' HB3' ' CE2' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -45.04 -73.1 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 0.76 . . . . 0.0 109.304 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.3 mt -46.99 -53.13 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -57.0 -17.67 10.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.99 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.472 ' N ' ' O ' ' A' ' 31' ' ' GLY . 81.3 t80 -106.93 11.12 30.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 0.0 110.984 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -143.0 23.42 1.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -104.2 108.94 20.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.331 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.1 ttmm -63.83 96.7 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.495 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 25.2 p90 -100.01 163.69 12.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.1 tttp -105.41 140.62 38.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 39.0 p -93.87 153.13 41.01 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.132 . . . . 0.0 110.384 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -68.39 -2.78 9.71 Favored 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.377 3.385 . . . . 0.0 109.609 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 p -106.59 22.41 15.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.985 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 54.63 81.68 0.06 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.512 1.133 . . . . 0.0 111.006 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.7 tttt 171.43 108.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 0.782 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.56 153.32 39.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -163.98 177.47 8.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.495 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -155.53 152.79 29.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.442 ' CB ' ' CD1' ' A' ' 35' ' ' PHE . 62.3 m -65.18 -13.15 57.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 108.295 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.469 ' O ' ' HA ' ' A' ' 54' ' ' THR . . . -102.19 6.11 40.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.411 ' OG ' ' O ' ' A' ' 48' ' ' ALA . 88.2 p -77.2 -28.8 54.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 110.019 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 86.1 m -117.71 -44.8 2.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 108.284 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.516 ' O ' ' OG1' ' A' ' 54' ' ' THR . 86.6 m-70 -86.69 14.59 6.78 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.785 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.516 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 40.6 p 50.18 172.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.369 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.404 ' HA ' ' CB ' ' A' ' 50' ' ' ALA . 11.2 p30 -53.67 -24.37 14.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -132.49 129.38 21.43 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.447 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 86.0 Cg_endo -73.42 -43.09 0.73 Allowed 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.295 3.33 . . . . 0.0 109.591 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.41 ' HA ' ' CB ' ' A' ' 74' ' ' ALA . . . -54.85 -18.14 4.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 109.351 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -89.85 172.83 8.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 40.8 t -70.49 135.74 27.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.132 . . . . 0.0 109.246 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.401 ' HA3' HG22 ' A' ' 54' ' ' THR . . . -110.4 -174.8 20.56 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.46 1.1 . . . . 0.0 110.999 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.5 tttt -166.31 135.0 2.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.769 . . . . 0.0 109.292 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -94.12 134.44 36.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.5 pt -84.75 13.1 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.328 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 78.5 t -88.85 -60.03 2.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.2 p -113.43 -28.03 7.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 110.391 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 83.51 53.03 3.53 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.501 1.125 . . . . 0.0 110.999 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.516 ' O ' ' C ' ' A' ' 69' ' ' GLU . 7.6 ttmt -111.28 98.77 7.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.516 ' C ' ' O ' ' A' ' 68' ' ' LYS . 1.2 pm0 -28.87 100.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.431 1.082 . . . . 0.0 110.356 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.46 HG12 ' O ' ' A' ' 68' ' ' LYS . 3.7 mm -77.54 134.13 66.32 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.271 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 72' ' ' PRO . 60.0 Cg_endo -71.61 150.75 57.52 Favored 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.332 3.354 . . . . 0.0 109.553 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.41 ' C ' ' O ' ' A' ' 71' ' ' PRO . 72.4 Cg_exo -32.75 137.75 0.06 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.339 3.359 . . . . 0.0 109.565 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.523 ' O ' ' CD1' ' A' ' 73' ' ' LEU . 0.2 OUTLIER -93.22 -28.27 16.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.468 ' C ' ' O ' ' A' ' 73' ' ' LEU . . . -34.66 96.9 0.11 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.542 ' HB3' ' CD1' ' A' ' 82' ' ' PHE . 16.6 Cg_exo -67.22 53.4 0.46 Allowed 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.342 3.361 . . . . 0.0 109.607 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.408 ' N ' ' O ' ' A' ' 74' ' ' ALA . 9.7 ttm180 -168.7 -51.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 110.29 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 38.4 t -46.32 -41.02 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.473 ' N ' ' OD1' ' A' ' 78' ' ' ASN . 0.2 OUTLIER -111.39 142.07 44.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -78.97 -6.5 56.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 110.367 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.44 ' O ' ' NH1' ' A' ' 81' ' ' ARG . 0.4 OUTLIER -97.72 45.5 1.03 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.44 ' NH1' ' O ' ' A' ' 80' ' ' LYS . 17.9 mmt-85 -141.89 162.6 35.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 110.309 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.542 ' CD1' ' HB3' ' A' ' 75' ' ' PRO . 3.1 m-30 39.62 67.84 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.95 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 10.7 m -89.8 -67.52 0.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.361 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -81.75 92.39 6.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.252 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.462 ' CD1' ' HG ' ' A' ' 8' ' ' LEU . 8.8 tt -72.14 -4.71 5.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.348 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -97.55 -21.03 17.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 90' ' ' ASP . 5.2 ttmt -102.05 -50.57 3.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.362 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -43.92 -26.91 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.421 ' N ' ' C ' ' A' ' 87' ' ' LYS . 2.2 tm-20 -70.46 -46.73 63.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 0.0 110.311 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 87' ' ' LYS . 23.0 m-20 -70.88 -46.44 62.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 3.4 mm-40 -54.79 -18.72 5.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.115 . . . . 0.0 110.291 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.607 ' CD1' ' HD2' ' A' ' 109' ' ' LYS . 0.2 OUTLIER -81.15 -24.52 37.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.998 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -89.35 -29.95 18.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.4 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.6 -33.78 53.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.342 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.585 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.4 t60 -66.0 -59.25 4.0 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 114.99 -1.004 . . . . 0.0 109.759 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . 0.419 ' C ' ' O ' ' A' ' 102' ' ' ALA . 11.9 m -56.35 -23.66 38.93 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.568 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.445 ' HA ' ' N ' ' A' ' 102' ' ' ALA . 1.7 m-80 -82.24 -12.29 58.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -117.9 5.92 12.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.585 HG13 ' CE1' ' A' ' 95' ' ' HIS . 25.0 mm -122.57 -51.42 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 74.6 mt -97.19 -29.21 13.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.262 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 106.86 9.79 29.66 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.483 1.115 . . . . 0.0 110.993 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.445 ' N ' ' HA ' ' A' ' 97' ' ' ASN . . . -168.21 -173.89 2.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 0.778 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -85.46 125.34 32.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 57.3 m -61.04 161.31 8.62 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.599 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' SER . . . . . 0.471 ' HB2' ' CG ' ' A' ' 108' ' ' GLU . 4.5 m -68.79 144.5 96.02 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.035 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -63.61 -21.46 70.32 Favored 'Trans proline' 0 N--CA 1.446 -1.283 0 C-N-CA 124.334 3.356 . . . . 0.0 109.599 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.469 ' HB2' ' CE1' ' A' ' 23' ' ' TYR . 72.0 p -85.79 -36.74 19.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.986 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.471 ' CG ' ' HB2' ' A' ' 105' ' ' SER . 4.5 mm-40 -70.5 -9.95 57.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.312 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.607 ' HD2' ' CD1' ' A' ' 92' ' ' PHE . 2.4 tppt? -90.66 -65.38 1.02 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.261 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -49.55 -22.05 1.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.269 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.415 ' N ' ' C ' ' A' ' 109' ' ' LYS . 0.2 OUTLIER -80.0 -51.3 9.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.593 ' CE2' HD13 ' A' ' 116' ' ' LEU . 40.7 t80 -58.07 -46.12 85.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 110.972 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.431 HG21 ' CG2' ' A' ' 9' ' ' VAL . 1.4 mt -57.52 -38.22 62.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.82 -62.79 1.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.563 ' CE2' ' HB3' ' A' ' 32' ' ' LYS . 1.1 t80 -50.37 -31.59 15.15 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.852 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.593 HD13 ' CE2' ' A' ' 112' ' ' PHE . 10.5 mt -71.8 -40.02 69.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.467 ' CD2' HG22 ' A' ' 9' ' ' VAL . 1.7 pp -91.17 20.75 4.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 27.4 m . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.396 -179.974 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.508 ' C ' ' CG2' ' A' ' 2' ' ' VAL . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.508 ' CG2' ' C ' ' A' ' 1' ' ' ASP . 3.0 t 87.08 -41.47 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 2' ' ' VAL . 19.2 m -37.72 -44.96 0.76 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.368 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.516 ' N ' ' ND2' ' A' ' 4' ' ' ASN . 0.4 OUTLIER -77.82 -48.36 16.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.255 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -49.67 -48.78 49.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -64.53 -34.21 77.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -63.93 -49.68 71.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.8 mt -51.86 -51.94 53.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.433 ' O ' ' CB ' ' A' ' 13' ' ' THR . 95.7 t -53.49 -51.56 40.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -71.54 -6.98 44.68 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.838 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 7' ' ' LYS . 4.8 tppt? -96.28 -71.76 0.66 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.563 ' CE1' ' HG2' ' A' ' 109' ' ' LYS . 85.5 m-85 -50.67 -23.55 2.71 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.801 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.497 ' CG2' ' O ' ' A' ' 24' ' ' GLU . 18.7 m -74.36 -42.42 59.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.396 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -65.3 -52.53 53.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.343 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.7 mt -51.38 -51.32 24.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.99 -56.2 22.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.232 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -54.23 -33.21 57.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.622 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 39.5 t -70.81 -16.49 62.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.006 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -105.34 -37.59 6.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -136.49 94.1 13.84 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_exo -46.93 -22.76 2.16 Favored 'Trans proline' 0 N--CA 1.446 -1.265 0 C-N-CA 124.336 3.358 . . . . 0.0 109.593 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -65.51 -44.28 87.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -75.32 119.02 18.86 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.023 -0.99 . . . . 0.0 109.805 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.497 ' O ' ' CG2' ' A' ' 13' ' ' THR . 1.7 mt-10 -118.84 -44.53 2.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -132.8 164.94 40.2 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -91.33 -169.15 0.28 Allowed 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.329 3.353 . . . . 0.0 109.626 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 40.5 t -151.07 172.98 14.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.973 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.513 ' O ' ' CE2' ' A' ' 115' ' ' TYR . 7.7 pt -121.66 29.99 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.262 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 20.8 m -132.64 6.38 4.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.411 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.447 ' CB ' ' OD1' ' A' ' 111' ' ' ASN . 1.0 OUTLIER -112.59 -25.59 9.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.778 ' N ' HD22 ' A' ' 111' ' ' ASN . . . -79.68 54.66 4.41 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.436 1.085 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.21 -66.55 0.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 0.729 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.455 ' CG2' ' HD3' ' A' ' 37' ' ' ARG . 33.7 mt -59.99 -50.57 79.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -53.97 -21.64 8.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.539 ' CD1' ' HB2' ' A' ' 49' ' ' CYS . 86.4 t80 -109.08 6.04 24.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.467 1.104 . . . . 0.0 110.99 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.404 ' OD1' ' O ' ' A' ' 35' ' ' PHE . 76.4 m-20 -140.21 22.62 2.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.455 ' HD3' ' CG2' ' A' ' 33' ' ' ILE . 1.5 ttp85 -105.15 104.11 13.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.286 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -56.42 96.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.533 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 25.9 p90 -100.02 164.45 11.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.87 147.48 28.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 33.5 p -103.19 153.99 37.99 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.381 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -65.51 -6.1 12.92 Favored 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 124.328 3.352 . . . . 0.0 109.594 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 p -104.26 34.82 2.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.998 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 43.0 80.96 0.04 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.54 1.15 . . . . 0.0 110.98 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.7 tttp 172.49 124.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.467 0.746 . . . . 0.0 109.3 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.34 154.11 27.97 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.143 . . . . 0.0 110.263 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -163.5 176.76 9.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.533 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -155.38 152.56 29.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.539 ' HB2' ' CD1' ' A' ' 35' ' ' PHE . 57.8 m -65.29 -12.62 53.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 108.294 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.419 ' O ' ' HA ' ' A' ' 54' ' ' THR . . . -102.49 6.13 39.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.342 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.493 ' OG ' ' CMC' ' A' ' 125' ' ' HEC . 94.8 p -76.33 -29.69 57.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.944 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 71.4 m -118.1 -45.44 2.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 108.25 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.518 ' O ' ' OG1' ' A' ' 54' ' ' THR . 77.4 m-70 -84.69 14.57 4.55 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.063 -0.971 . . . . 0.0 109.721 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.518 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 49.4 p 50.27 172.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.417 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.404 ' HA ' ' CB ' ' A' ' 50' ' ' ALA . 8.6 p30 -53.31 -24.87 12.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -131.05 125.13 20.99 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.242 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.535 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 60.9 Cg_endo -70.48 -41.2 3.53 Favored 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.302 3.335 . . . . 0.0 109.587 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.43 -16.97 6.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -88.69 176.37 7.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 53.7 t -79.54 120.67 31.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -84.08 -168.52 44.03 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.485 1.115 . . . . 0.0 110.977 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.14 120.69 0.98 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 0.779 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.441 ' ND2' ' CD1' ' A' ' 70' ' ' ILE . 84.5 m-20 -76.83 129.75 36.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.107 . . . . 0.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 6.4 pt -85.69 9.05 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.344 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 53.6 t -91.28 -55.46 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 68.2 p -107.42 -33.29 7.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 110.384 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 77.82 36.84 31.45 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.433 1.083 . . . . 0.0 110.984 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -81.97 -94.44 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 0.756 . . . . 0.0 109.26 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -177.99 123.13 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.355 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.441 ' CD1' ' ND2' ' A' ' 63' ' ' ASN . 1.8 mm -112.81 97.88 42.99 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -48.94 167.83 0.12 Allowed 'Trans proline' 0 N--CA 1.448 -1.193 0 C-N-CA 124.315 3.343 . . . . 0.0 109.578 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_exo -37.76 131.46 0.77 Allowed 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.282 3.322 . . . . 0.0 109.633 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 75' ' ' PRO . 4.1 tp -87.84 -31.01 19.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.454 ' CB ' ' HB ' ' A' ' 77' ' ' VAL . . . -37.89 98.42 0.16 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.566 ' HB3' ' CD1' ' A' ' 82' ' ' PHE . 26.2 Cg_exo -62.85 -18.25 63.72 Favored 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 124.316 3.344 . . . . 0.0 109.61 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -94.01 -40.57 10.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.454 ' HB ' ' CB ' ' A' ' 74' ' ' ALA . 41.2 t -59.96 -39.99 81.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.447 ' N ' ' OD1' ' A' ' 78' ' ' ASN . 0.4 OUTLIER -93.92 134.65 36.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 19.3 p -82.25 -7.13 59.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.378 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.82 43.72 1.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.352 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.478 ' CB ' ' HA ' ' A' ' 75' ' ' PRO . 50.6 mmt-85 -145.25 172.27 13.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.566 ' CD1' ' HB3' ' A' ' 75' ' ' PRO . 1.6 m-30 36.44 64.76 0.51 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 110.987 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 24.5 m -101.51 -64.26 1.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.39 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -79.38 149.06 31.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 109.329 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.48 ' CG1' ' HB3' ' A' ' 4' ' ' ASN . 2.8 mp -107.84 -45.95 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -45.62 -67.77 0.25 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.441 1.088 . . . . 0.0 109.324 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.448 ' C ' ' N ' ' A' ' 89' ' ' GLU . 0.2 OUTLIER -52.84 -63.88 1.0 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.257 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 87' ' ' LYS . 1.2 t -40.15 -30.13 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.448 ' N ' ' C ' ' A' ' 87' ' ' LYS . 5.4 tt0 -80.01 53.65 1.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.339 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 30.1 t0 178.39 -50.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.422 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 4.2 mm-40 -54.34 -20.63 7.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.307 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.643 ' CZ ' ' CMA' ' A' ' 125' ' ' HEC . 0.1 OUTLIER -81.85 -30.91 31.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 111.008 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.1 m -84.55 -36.37 22.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.43 1.081 . . . . 0.0 110.404 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.3 mmpt? -68.16 -31.98 71.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.578 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.3 t60 -64.9 -58.68 5.51 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.766 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . 0.414 ' C ' ' O ' ' A' ' 102' ' ' ALA . 4.5 m -55.91 -22.79 27.78 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.603 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.438 ' HA ' ' N ' ' A' ' 102' ' ' ALA . 1.9 m-80 -83.16 -13.19 56.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.67 6.35 13.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.578 HG13 ' CE1' ' A' ' 95' ' ' HIS . 19.8 mm -121.71 -51.63 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 78.3 mt -97.62 -29.04 13.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 105.96 12.02 26.83 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.555 1.159 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.438 ' N ' ' HA ' ' A' ' 97' ' ' ASN . . . -168.17 -173.17 1.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 0.749 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -87.64 125.94 34.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 58.3 m -63.14 160.24 15.8 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.605 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.479 ' HB2' ' CG ' ' A' ' 108' ' ' GLU . 1.9 m -67.85 149.19 98.34 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.992 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -65.97 -23.49 54.16 Favored 'Trans proline' 0 N--CA 1.446 -1.269 0 C-N-CA 124.334 3.356 . . . . 0.0 109.63 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.83 -8.53 51.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.993 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.479 ' CG ' ' HB2' ' A' ' 105' ' ' SER . 3.9 mm-40 -94.65 -13.89 25.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.293 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.577 ' HD2' ' CD1' ' A' ' 92' ' ' PHE . 2.6 tppt? -86.59 -59.3 2.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -52.18 -24.71 7.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.778 HD22 ' N ' ' A' ' 31' ' ' GLY . 0.8 OUTLIER -71.62 -54.87 9.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.65 ' CE2' ' CD1' ' A' ' 116' ' ' LEU . 45.9 t80 -59.51 -45.57 91.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 111.042 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.462 ' CD1' ' HG3' ' A' ' 109' ' ' LYS . 1.7 mt -55.59 -35.96 40.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -65.02 -66.78 0.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.513 ' CE2' ' O ' ' A' ' 28' ' ' ILE . 0.2 OUTLIER -50.56 -34.4 25.52 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.814 -179.93 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.65 ' CD1' ' CE2' ' A' ' 112' ' ' PHE . 7.6 mt -70.54 -36.92 73.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.48 ' O ' ' CD1' ' A' ' 117' ' ' LEU . 1.7 pp -96.8 28.39 3.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 6.9 m -127.49 -67.61 0.82 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.379 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -73.87 124.31 25.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.336 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 28.4 p -139.05 41.78 2.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.386 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -133.21 100.72 13.93 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.535 1.147 . . . . 0.0 109.258 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -78.69 167.3 22.67 Favored 'Trans proline' 0 N--CA 1.447 -1.251 0 C-N-CA 124.273 3.316 . . . . 0.0 109.575 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 26.5 m -74.74 -68.41 0.54 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.38 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 62.7 mttt . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.352 -179.979 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' HEC . . . . . 0.643 ' CMA' ' CZ ' ' A' ' 92' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.476 ' O ' ' CG1' ' A' ' 2' ' ' VAL . 3.3 p -145.91 49.1 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 48.6 m -61.81 -12.7 18.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.436 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.542 ' N ' ' ND2' ' A' ' 4' ' ' ASN . 0.3 OUTLIER -78.45 -47.76 16.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -44.19 -46.87 9.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -60.54 -47.56 85.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -59.08 -46.68 87.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.261 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.473 ' CD1' HG13 ' A' ' 88' ' ' VAL . 8.6 mt -53.27 -52.18 59.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.428 ' CG2' HG23 ' A' ' 113' ' ' ILE . 75.4 t -56.11 -49.36 76.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.092 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -74.32 -3.01 27.66 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.778 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 7' ' ' LYS . 3.4 mmmt -100.2 -72.79 0.66 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -50.23 -22.84 1.91 Allowed 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.834 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.425 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 19.6 m -74.95 -42.59 57.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.431 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -64.44 -51.1 64.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.1 mt -52.9 -46.32 52.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.53 -50.79 72.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -58.14 -31.88 67.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.09 . . . . 0.0 109.604 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.2 t -72.02 -17.37 62.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 0.0 109.976 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -104.37 -35.92 7.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -137.42 93.4 12.79 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo -47.89 -22.11 3.1 Favored 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.305 3.336 . . . . 0.0 109.573 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -66.87 -43.05 84.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 111.045 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -75.45 117.27 17.06 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 114.944 -1.026 . . . . 0.0 109.808 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -117.09 -43.6 2.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.11 . . . . 0.0 110.273 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -132.06 168.03 19.53 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.346 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -93.26 175.31 1.6 Allowed 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 124.318 3.345 . . . . 0.0 109.574 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.28 135.58 37.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.996 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.563 ' CG2' ' O ' ' A' ' 28' ' ' ILE . 3.7 mt -92.6 38.16 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 49.5 m -148.47 34.68 0.79 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 110.36 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -137.23 -49.94 0.62 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.467 ' O ' ' CB ' ' A' ' 35' ' ' PHE . . . -39.08 -37.54 0.67 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.517 1.136 . . . . 0.0 111.063 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.517 ' HG2' ' CZ ' ' A' ' 115' ' ' TYR . 0.4 OUTLIER -51.98 -72.16 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 0.723 . . . . 0.0 109.26 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 15.7 mt -46.84 -57.01 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -54.88 -17.77 4.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.132 . . . . 0.0 111.008 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.558 ' CD1' ' HB2' ' A' ' 49' ' ' CYS . 87.5 t80 -111.62 3.88 18.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 32' ' ' LYS . 67.4 m-20 -139.97 24.06 2.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.344 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -104.28 98.46 8.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.132 . . . . 0.0 110.271 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -51.66 94.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.582 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 25.9 p90 -100.15 162.88 12.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 110.97 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.9 mttt -107.11 145.64 32.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.095 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.7 p -100.14 153.25 37.86 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.423 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -64.6 -8.21 16.71 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.276 3.317 . . . . 0.0 109.623 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.6 p -101.94 33.68 2.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.029 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 42.07 77.41 0.08 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.509 1.131 . . . . 0.0 111.042 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 178.68 112.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 0.779 . . . . 0.0 109.255 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -69.22 152.74 44.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 110.312 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -163.8 177.52 8.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.582 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -158.07 156.49 31.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.558 ' HB2' ' CD1' ' A' ' 35' ' ' PHE . 34.8 m -70.76 -8.26 51.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 108.297 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.441 ' O ' ' HA ' ' A' ' 54' ' ' THR . . . -106.53 4.05 27.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.404 ' HB2' ' O ' ' A' ' 48' ' ' ALA . 0.3 OUTLIER -83.54 -18.43 38.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.117 . . . . 0.0 110.021 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 53.9 m -124.22 -45.2 1.98 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 108.302 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.51 ' O ' ' OG1' ' A' ' 54' ' ' THR . 73.8 m-70 -92.36 17.37 9.94 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.741 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.51 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 71.7 p 50.26 170.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 110.411 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.408 ' HA ' ' CB ' ' A' ' 50' ' ' ALA . 13.6 p30 -54.35 -20.09 6.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -133.13 124.27 18.34 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.488 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 66.6 Cg_endo -71.12 -47.17 0.57 Allowed 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 124.327 3.352 . . . . 0.0 109.61 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.28 -19.08 2.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.358 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.401 ' N ' ' C ' ' A' ' 57' ' ' PRO . 12.5 t-20 -86.55 173.69 9.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 78.6 t -74.69 122.14 27.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 70' ' ' ILE . . . -92.75 -177.58 41.06 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.528 1.142 . . . . 0.0 111.041 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 59.8 tttt -159.85 133.34 7.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 0.754 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.424 ' ND2' HD12 ' A' ' 70' ' ' ILE . 92.0 m-20 -83.98 130.88 34.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.347 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 7.1 pt -85.16 7.2 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 57.8 t -88.81 -54.81 7.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 70.0 p -107.4 -34.4 7.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.398 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 81.51 33.25 28.59 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.555 1.159 . . . . 0.0 111.035 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.6 mmtp -79.08 -94.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 0.775 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -179.47 123.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.424 HD12 ' ND2' ' A' ' 63' ' ' ASN . 2.6 mm -112.34 99.28 46.25 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.348 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -49.0 167.08 0.14 Allowed 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.304 3.336 . . . . 0.0 109.601 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_exo -37.18 132.05 0.52 Allowed 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.287 3.325 . . . . 0.0 109.615 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 74' ' ' ALA . 6.3 tp -86.91 -28.83 22.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 73' ' ' LEU . . . -39.28 113.41 0.82 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.512 ' HB2' ' CG ' ' A' ' 82' ' ' PHE . 54.3 Cg_endo -72.8 -4.11 14.78 Favored 'Trans proline' 0 N--CA 1.448 -1.168 0 C-N-CA 124.281 3.321 . . . . 0.0 109.567 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.4 ttt180 -106.34 -51.77 2.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.311 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.417 ' CG2' ' HB ' ' A' ' 120' ' ' THR . 7.6 t -45.72 -42.82 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.443 ' N ' ' OD1' ' A' ' 78' ' ' ASN . 0.4 OUTLIER -95.63 141.44 29.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.536 1.148 . . . . 0.0 109.272 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.7 p -89.23 1.25 55.97 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 110.41 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.18 46.11 1.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.471 ' CB ' ' HA ' ' A' ' 75' ' ' PRO . 60.3 mmt-85 -143.26 168.74 19.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.28 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.512 ' CG ' ' HB2' ' A' ' 75' ' ' PRO . 2.7 m-30 36.6 62.78 0.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.949 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.477 ' O ' ' CG2' ' A' ' 83' ' ' THR . 3.4 m -124.94 44.63 2.74 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 110.392 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.435 ' C ' ' N ' ' A' ' 86' ' ' ASP . 44.8 t0 -174.86 79.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.402 ' O ' HG21 ' A' ' 85' ' ' ILE . 6.1 mt -41.12 -28.96 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.34 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.435 ' N ' ' C ' ' A' ' 84' ' ' ASP . 15.2 m-20 -66.53 -68.63 0.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 88' ' ' VAL . 3.1 ttmm -41.08 -47.09 3.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.473 HG13 ' CD1' ' A' ' 8' ' ' LEU . 2.1 t -38.06 -58.27 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.46 80.53 6.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 110.278 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.0 t70 176.69 -66.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 0.0 109.303 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.484 ' HG3' ' N ' ' A' ' 92' ' ' PHE . 9.4 pt-20 -64.86 -38.46 91.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.672 ' CZ ' ' CMA' ' A' ' 125' ' ' HEC . 0.1 OUTLIER -59.57 -26.66 65.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 111.01 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.3 m -87.79 -41.31 13.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.385 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.68 -29.83 69.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.53 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.4 t60 -66.68 -58.83 4.33 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.791 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . 0.419 ' C ' ' O ' ' A' ' 102' ' ' ALA . 12.5 m -57.27 -24.1 52.61 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.579 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.417 ' HA ' ' N ' ' A' ' 102' ' ' ALA . 2.0 m-80 -82.74 -12.4 57.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.264 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.67 8.28 11.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.53 HG13 ' CE1' ' A' ' 95' ' ' HIS . 20.0 mm -124.49 -43.13 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 56.5 mt -106.82 -31.57 8.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 108.43 11.71 22.97 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.523 1.139 . . . . 0.0 111.039 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 96' ' ' CYS . . . -166.35 -173.89 2.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 0.785 . . . . 0.0 109.341 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -89.67 126.03 35.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 56.2 m -62.12 160.9 11.87 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.613 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 23.3 t -74.77 142.99 77.65 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.989 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -59.12 -17.7 39.95 Favored 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.337 3.358 . . . . 0.0 109.593 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 60.4 p -86.17 -42.14 14.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.013 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -68.36 -11.84 60.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.575 ' HD2' ' CD1' ' A' ' 92' ' ' PHE . 2.7 tppp? -87.21 -62.95 1.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -51.96 -20.91 2.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -76.37 -49.95 15.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.587 ' CE2' HD23 ' A' ' 116' ' ' LEU . 40.1 t80 -62.92 -44.9 94.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.428 HG23 ' CG2' ' A' ' 9' ' ' VAL . 1.5 mt -53.66 -38.64 35.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -66.02 -62.77 1.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.517 ' CZ ' ' HG2' ' A' ' 32' ' ' LYS . 1.1 t80 -48.67 -32.5 8.44 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.809 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.587 HD23 ' CE2' ' A' ' 112' ' ' PHE . 1.0 OUTLIER -74.45 -42.29 59.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.498 ' O ' ' CD1' ' A' ' 117' ' ' LEU . 1.6 pp -91.98 33.32 1.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.581 1.176 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.427 ' CG2' HG22 ' A' ' 28' ' ' ILE . 57.0 m -141.62 -68.02 0.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.356 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -89.09 66.8 7.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.306 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.47 ' CG2' ' O ' ' A' ' 116' ' ' LEU . 69.8 p -92.18 66.83 4.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.435 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.04 148.98 9.92 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -80.67 166.49 19.52 Favored 'Trans proline' 0 N--CA 1.447 -1.255 0 C-N-CA 124.291 3.327 . . . . 0.0 109.593 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 2.7 m -76.78 -47.02 22.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.431 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' HEC . . . . . 0.672 ' CMA' ' CZ ' ' A' ' 92' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.513 ' O ' ' CB ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.513 ' CB ' ' O ' ' A' ' 1' ' ' ASP . 3.1 t 87.35 -21.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 23.5 m -47.98 -33.75 8.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.401 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.521 ' N ' ' ND2' ' A' ' 4' ' ' ASN . 0.4 OUTLIER -76.74 -47.3 22.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.418 1.074 . . . . 0.0 109.256 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.57 -44.45 72.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -65.17 -36.64 84.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.264 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -52.21 64.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.0 mt -51.1 -49.67 60.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.337 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.427 ' O ' ' CB ' ' A' ' 13' ' ' THR . 42.2 t -53.17 -51.69 37.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -72.81 -4.71 33.31 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.843 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -97.9 -72.72 0.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -50.61 -22.7 2.14 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 114.997 -1.002 . . . . 0.0 109.889 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.427 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 8.8 m -72.3 -40.77 67.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.165 . . . . 0.0 110.425 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.92 -52.94 53.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.9 mt -51.58 -48.84 35.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.76 -58.11 8.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 70.0 t60 -58.13 -31.02 66.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.602 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 47.9 t -70.64 -14.66 62.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.971 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -100.85 -42.75 6.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -141.25 128.69 11.9 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -67.18 -6.51 16.35 Favored 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.345 3.363 . . . . 0.0 109.624 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.8 mmt -75.19 -45.28 41.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 110.986 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -78.98 123.42 27.27 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.816 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -120.53 -45.41 2.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.11 . . . . 0.0 110.331 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.456 ' CB ' ' CD ' ' A' ' 26' ' ' PRO . . . -133.89 175.25 3.82 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.456 ' CD ' ' CB ' ' A' ' 25' ' ' ALA . 6.7 Cg_exo -75.25 -167.45 0.43 Allowed 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.308 3.339 . . . . 0.0 109.57 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 32.3 t -160.09 160.78 33.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.018 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 7.3 pt -126.86 53.71 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.483 ' CG2' ' O ' ' A' ' 29' ' ' THR . 3.5 m -162.21 35.82 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.435 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -143.99 -49.46 0.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' A' ' 35' ' ' PHE . . . -38.88 -52.63 2.55 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 110.951 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -46.44 -74.02 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 0.757 . . . . 0.0 109.282 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 15.4 mt -45.5 -58.6 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -54.17 -18.15 3.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.537 ' CD1' ' CB ' ' A' ' 49' ' ' CYS . 87.0 t80 -110.23 2.75 19.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 111.017 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 32' ' ' LYS . 79.4 m-20 -140.99 28.37 1.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.462 ' O ' ' N ' ' A' ' 39' ' ' PHE . 35.9 ttt85 -106.51 90.73 3.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.355 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.4 ttmm -44.5 95.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.592 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 31.9 p90 -104.12 162.51 13.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.137 . . . . 0.0 110.961 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.58 134.33 52.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 19.8 p -84.16 154.54 63.59 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.41 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.473 ' CG ' ' HA2' ' A' ' 101' ' ' GLY . 47.7 Cg_endo -61.32 -9.68 13.58 Favored 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 124.254 3.302 . . . . 0.0 109.606 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 p -102.8 35.06 2.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.987 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 43.2 80.33 0.05 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.486 1.116 . . . . 0.0 110.981 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -175.22 123.13 0.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 0.775 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -83.38 124.91 31.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.273 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.58 -174.36 3.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.592 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -166.52 154.81 10.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.537 ' CB ' ' CD1' ' A' ' 35' ' ' PHE . 35.4 m -70.44 -8.12 48.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 108.304 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.437 ' CB ' ' HA ' ' A' ' 55' ' ' ASN . . . -106.4 3.05 26.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.406 ' HB2' ' O ' ' A' ' 48' ' ' ALA . 0.5 OUTLIER -83.44 -16.17 46.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.006 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 21.2 m -126.23 -43.23 1.8 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 108.315 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.512 ' O ' ' OG1' ' A' ' 54' ' ' THR . 79.0 m-70 -95.26 18.86 11.58 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 114.999 -1.001 . . . . 0.0 109.784 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.512 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 49.9 p 50.25 170.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.402 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.437 ' HA ' ' CB ' ' A' ' 50' ' ' ALA . 9.6 p30 -52.18 -24.97 7.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.118 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -129.92 127.2 22.73 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.516 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 73.2 Cg_endo -71.08 -43.19 1.68 Allowed 'Trans proline' 0 N--CA 1.448 -1.202 0 C-N-CA 124.333 3.356 . . . . 0.0 109.585 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.09 -18.13 5.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 0.0 109.273 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -86.91 176.19 7.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 51.0 t -77.94 124.5 36.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -91.89 -169.33 41.15 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.514 1.134 . . . . 0.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.466 ' CG ' ' O ' ' A' ' 68' ' ' LYS . 6.9 ttpt 176.1 131.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 0.749 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -83.01 133.73 35.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.0 pt -83.65 6.92 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 61.5 t -84.63 -49.53 15.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 72.2 p -107.78 -32.78 7.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 110.411 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 88.68 45.16 4.98 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.455 1.097 . . . . 0.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.466 ' O ' ' CG ' ' A' ' 62' ' ' LYS . 0.6 OUTLIER -98.04 -161.56 0.88 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 0.752 . . . . 0.0 109.326 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.469 ' N ' ' CD ' ' A' ' 69' ' ' GLU . 1.2 pm0 -131.73 101.29 5.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.297 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.2 mm -83.59 115.43 59.44 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.4 ' HD3' ' O ' ' A' ' 69' ' ' GLU . 76.6 Cg_exo -50.02 166.0 0.3 Allowed 'Trans proline' 0 N--CA 1.448 -1.196 0 C-N-CA 124.307 3.338 . . . . 0.0 109.576 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -42.37 126.55 3.94 Favored 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.311 3.341 . . . . 0.0 109.577 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 75' ' ' PRO . 6.4 tp -81.96 -33.86 30.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.279 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.454 ' CB ' ' HB ' ' A' ' 77' ' ' VAL . . . -37.73 97.8 0.14 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.474 ' HA ' ' CB ' ' A' ' 81' ' ' ARG . 24.4 Cg_exo -63.55 -17.14 58.69 Favored 'Trans proline' 0 N--CA 1.447 -1.265 0 C-N-CA 124.338 3.359 . . . . 0.0 109.609 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.99 -46.09 7.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.326 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.454 ' HB ' ' CB ' ' A' ' 74' ' ' ALA . 15.3 t -54.13 -41.76 52.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.458 ' N ' ' OD1' ' A' ' 78' ' ' ASN . 0.4 OUTLIER -93.69 133.04 37.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 21.2 p -81.31 -7.39 59.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.427 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.93 43.82 1.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.474 ' CB ' ' HA ' ' A' ' 75' ' ' PRO . 51.6 mmt-85 -144.64 170.52 15.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.366 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.446 ' CD1' ' HB3' ' A' ' 75' ' ' PRO . 2.0 m-30 39.09 64.9 0.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 88.8 m -102.34 -61.39 1.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.424 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -85.11 110.23 18.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.272 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.478 ' CG1' ' HB3' ' A' ' 4' ' ' ASN . 2.8 mp -69.95 -42.41 79.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.72 -57.67 5.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.451 ' C ' ' N ' ' A' ' 89' ' ' GLU . 0.7 OUTLIER -57.41 -66.17 0.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 87' ' ' LYS . 1.2 t -39.93 -30.19 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.451 ' N ' ' C ' ' A' ' 87' ' ' LYS . 1.1 tm-20 -81.06 61.97 4.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.289 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.405 ' CG ' ' O ' ' A' ' 89' ' ' GLU . 1.7 m-20 167.08 -46.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.234 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.457 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 3.6 mm-40 -57.44 -16.62 9.92 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.527 1.142 . . . . 0.0 110.252 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.7 ' CZ ' ' CMA' ' A' ' 125' ' ' HEC . 0.1 OUTLIER -88.09 -23.02 23.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.2 m -89.43 -39.58 13.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.403 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -68.13 -29.79 68.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.582 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.2 t60 -68.33 -59.25 3.33 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.775 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . 0.418 ' C ' ' O ' ' A' ' 102' ' ' ALA . 7.7 m -55.9 -23.99 34.78 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.342 -0.844 . . . . 0.0 109.564 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.414 ' HA ' ' N ' ' A' ' 102' ' ' ALA . 1.8 m-20 -82.12 -13.33 57.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.257 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -117.18 4.78 12.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.582 HG13 ' CE1' ' A' ' 95' ' ' HIS . 36.3 mm -120.82 -50.6 3.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.406 ' O ' ' CD ' ' A' ' 42' ' ' PRO . 52.7 mt -98.24 -25.18 14.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.473 ' HA2' ' CG ' ' A' ' 42' ' ' PRO . . . 99.13 13.87 37.95 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 96' ' ' CYS . . . -164.91 -172.41 2.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 0.778 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -93.08 122.53 35.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.359 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 35.8 m -59.37 162.24 4.92 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.031 -0.986 . . . . 0.0 109.531 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 6.7 t -78.39 141.41 61.38 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 109.997 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_endo -57.14 -15.65 18.8 Favored 'Trans proline' 0 N--CA 1.447 -1.257 0 C-N-CA 124.329 3.352 . . . . 0.0 109.585 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 60.1 p -85.57 -43.21 13.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.968 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -70.8 -9.9 58.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 110.245 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.571 ' HD2' ' CD1' ' A' ' 92' ' ' PHE . 0.6 OUTLIER -86.28 -62.65 1.47 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.349 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.47 -18.37 11.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 109.254 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -77.17 -52.36 9.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.254 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.586 ' CE2' ' CD2' ' A' ' 116' ' ' LEU . 57.0 t80 -61.53 -43.16 99.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.575 1.172 . . . . 0.0 110.985 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.402 ' CG2' HG21 ' A' ' 9' ' ' VAL . 1.4 mt -53.7 -34.44 24.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 118' ' ' THR . . . -71.15 -69.82 0.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -41.05 -27.66 0.07 Allowed 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 114.999 -1.001 . . . . 0.0 109.81 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.586 ' CD2' ' CE2' ' A' ' 112' ' ' PHE . 0.3 OUTLIER -79.61 -48.29 14.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.145 . . . . 0.0 109.331 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.46 ' O ' ' CD1' ' A' ' 117' ' ' LEU . 1.0 OUTLIER -85.72 12.9 7.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.266 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 114' ' ' ALA . 6.8 m -99.96 -67.54 0.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.367 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -63.32 126.42 27.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.312 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 70.2 p -117.21 42.59 2.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.383 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.87 145.7 0.65 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.113 . . . . 0.0 109.321 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -76.24 167.11 26.49 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.295 3.33 . . . . 0.0 109.594 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 3.8 t -55.05 -24.88 27.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.401 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' HEC . . . . . 0.7 ' CMA' ' CZ ' ' A' ' 92' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.522 ' O ' ' CB ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.522 ' CB ' ' O ' ' A' ' 1' ' ' ASP . 3.2 t 87.17 -41.53 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.1 m -40.8 -43.55 2.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.359 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.471 ' N ' ' ND2' ' A' ' 4' ' ' ASN . 0.4 OUTLIER -78.24 -47.64 17.51 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.103 . . . . 0.0 109.28 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -49.65 -49.98 45.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -59.72 -44.87 93.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.112 . . . . 0.0 110.307 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 11' ' ' LYS . 1.7 mmtt -57.1 -47.91 79.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.9 mt -53.29 -53.5 49.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.478 ' CG1' ' HG2' ' A' ' 26' ' ' PRO . 93.2 t -59.08 -37.74 69.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -79.28 -6.71 57.3 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.864 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 14' ' ' ASN . 4.5 mmtt -102.73 -72.34 0.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -46.14 -24.36 0.44 Allowed 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.807 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.42 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 11.6 m -73.33 -37.86 65.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.364 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 11' ' ' LYS . 3.8 m120 -66.44 -52.31 47.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.5 mt -52.33 -51.73 30.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.85 -57.46 9.28 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -57.28 -33.33 67.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.615 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 39.7 t -72.59 -8.21 54.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 110.031 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -112.78 -42.73 3.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.282 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -134.85 96.41 14.71 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_exo -44.51 -24.74 1.16 Allowed 'Trans proline' 0 N--CA 1.447 -1.257 0 C-N-CA 124.324 3.349 . . . . 0.0 109.615 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 3.5 mtt -60.65 -45.24 94.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.968 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -75.95 118.08 18.34 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.82 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -114.72 -44.56 3.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.413 ' CB ' ' CD ' ' A' ' 26' ' ' PRO . . . -136.79 172.88 6.23 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.165 . . . . 0.0 109.28 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.478 ' HG2' ' CG1' ' A' ' 9' ' ' VAL . 1.4 Cg_endo -85.58 -173.76 1.44 Allowed 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.287 3.325 . . . . 0.0 109.605 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.2 t -154.8 162.64 41.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.992 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.0 pt -118.23 48.47 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.294 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.431 ' CG2' ' O ' ' A' ' 29' ' ' THR . 14.1 m -160.78 36.82 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.42 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' A' ' 30' ' ' ASP . 0.0 OUTLIER -142.39 -46.14 0.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.086 . . . . 0.0 109.343 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 35' ' ' PHE . . . -49.09 -45.79 33.51 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.483 1.114 . . . . 0.0 111.005 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.494 ' HB3' ' CZ ' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -49.23 -51.13 35.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 0.79 . . . . 0.0 109.283 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.2 mt -62.91 -59.06 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.32 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -55.71 -16.44 4.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.584 ' CD1' ' HB2' ' A' ' 49' ' ' CYS . 89.6 t80 -111.03 4.05 19.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.42 ' OD1' ' O ' ' A' ' 35' ' ' PHE . 75.7 m-20 -140.42 24.24 2.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.356 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -106.87 100.31 9.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.34 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.6 ttmt -52.2 95.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.578 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 26.3 p90 -100.53 163.97 12.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -108.46 143.0 38.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 25.3 p -96.69 153.4 38.74 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 110.417 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -64.57 -7.95 15.91 Favored 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.321 3.347 . . . . 0.0 109.602 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 p -99.52 32.53 2.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.566 1.166 . . . . 0.0 109.971 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 46.31 72.32 0.41 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.0 ttpp -176.43 135.73 0.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 0.744 . . . . 0.0 109.292 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -91.38 151.73 20.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.322 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -163.0 -179.93 7.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.578 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -159.04 155.48 27.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.584 ' HB2' ' CD1' ' A' ' 35' ' ' PHE . 29.3 m -70.5 -8.52 51.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 108.298 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.445 ' O ' ' HA ' ' A' ' 54' ' ' THR . . . -105.41 2.83 29.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.409 ' HB2' ' O ' ' A' ' 48' ' ' ALA . 0.3 OUTLIER -82.57 -16.67 47.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.112 . . . . 0.0 110.025 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 68.2 m -125.95 -45.86 1.71 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.153 . . . . 0.0 108.297 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.506 ' O ' ' O ' ' A' ' 54' ' ' THR . 59.1 m-70 -92.68 18.54 8.62 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 114.975 -1.011 . . . . 0.0 109.783 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.506 ' O ' ' O ' ' A' ' 53' ' ' HIS . 36.5 p 49.55 171.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 110.389 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -52.48 -21.7 4.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -134.82 126.24 17.78 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.547 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 69.4 Cg_endo -70.56 -43.57 1.93 Allowed 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.301 3.334 . . . . 0.0 109.584 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.2 -18.67 4.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -89.23 171.24 9.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 73.0 t -71.07 135.83 27.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.253 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -110.24 -176.12 20.82 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.46 1.1 . . . . 0.0 110.938 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.3 tttt -161.02 133.99 6.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 0.743 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.411 ' ND2' HD12 ' A' ' 70' ' ' ILE . 80.7 m-20 -80.56 126.37 31.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.6 pt -84.51 7.42 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 55.4 t -86.61 -56.17 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.1 p -111.79 -33.42 6.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.43 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 84.33 40.03 8.73 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.485 1.116 . . . . 0.0 111.024 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.454 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 1.4 tppp? -77.83 -92.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 0.77 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.454 ' HB3' ' O ' ' A' ' 68' ' ' LYS . 13.0 pt-20 176.35 120.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.411 HD12 ' ND2' ' A' ' 63' ' ' ASN . 2.2 mm -111.61 127.86 26.26 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -77.63 167.49 24.04 Favored 'Trans proline' 0 N--CA 1.447 -1.221 0 C-N-CA 124.292 3.328 . . . . 0.0 109.594 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_exo -36.89 131.85 0.44 Allowed 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 124.323 3.349 . . . . 0.0 109.555 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.415 ' O ' ' N ' ' A' ' 75' ' ' PRO . 6.6 tp -82.57 -30.73 29.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.449 ' CB ' HG22 ' A' ' 77' ' ' VAL . . . -39.99 99.63 0.2 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.567 ' HB3' ' CD1' ' A' ' 82' ' ' PHE . 24.6 Cg_exo -62.94 -11.35 24.11 Favored 'Trans proline' 0 N--CA 1.448 -1.181 0 C-N-CA 124.312 3.342 . . . . 0.0 109.581 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.1 ttp85 -97.95 -45.63 6.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 110.278 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.449 HG22 ' CB ' ' A' ' 74' ' ' ALA . 19.6 t -48.32 -42.92 11.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.456 ' N ' ' OD1' ' A' ' 78' ' ' ASN . 0.2 OUTLIER -102.48 149.26 24.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.26 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.402 ' O ' ' OG1' ' A' ' 83' ' ' THR . 25.1 p -81.92 -45.4 15.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 110.382 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -72.14 59.27 0.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 49.6 mmt-85 -143.56 -90.98 0.12 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.55 1.157 . . . . 0.0 110.317 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.567 ' CD1' ' HB3' ' A' ' 75' ' ' PRO . 2.3 m-30 -80.46 48.54 1.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.97 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 79' ' ' THR . 32.0 m -87.85 -10.46 50.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.405 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.467 ' OD1' ' N ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -130.67 117.61 19.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 109.339 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 7.4 tt -90.21 9.72 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.02 -76.89 0.44 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.467 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 3.3 tttt -48.01 -25.99 1.61 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.163 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 1.4 t -41.21 -53.72 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -86.42 75.24 9.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 110.259 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -174.96 -71.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.482 ' HG3' ' N ' ' A' ' 92' ' ' PHE . 8.7 pt-20 -57.9 -35.65 71.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.576 ' CD1' ' HD2' ' A' ' 109' ' ' LYS . 0.1 OUTLIER -61.45 -30.23 70.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 110.947 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.499 ' CG2' ' OD2' ' A' ' 103' ' ' ASP . 1.1 m -85.65 -36.96 19.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.377 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.34 -28.63 65.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.551 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.3 t60 -67.14 -59.11 3.73 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.793 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . 0.403 ' C ' ' O ' ' A' ' 102' ' ' ALA . 9.6 m -57.15 -23.26 46.16 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.617 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.451 ' HA ' ' N ' ' A' ' 102' ' ' ALA . 1.9 m-80 -81.76 -12.75 58.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.8 8.69 11.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.431 1.082 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.551 HG13 ' CE1' ' A' ' 95' ' ' HIS . 45.1 mm -126.01 -43.9 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 50.8 mt -105.18 -30.77 9.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 108.36 10.34 25.78 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.537 1.148 . . . . 0.0 110.983 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.451 ' N ' ' HA ' ' A' ' 97' ' ' ASN . . . -169.13 -175.85 2.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 0.73 . . . . 0.0 109.293 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.499 ' OD2' ' CG2' ' A' ' 93' ' ' THR . 9.9 t0 -85.9 124.68 32.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 56.2 m -61.0 160.81 9.26 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.584 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 29.2 t -71.73 143.76 87.5 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 0.0 110.0 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -57.31 -20.42 39.38 Favored 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 124.351 3.368 . . . . 0.0 109.589 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 60.1 p -81.32 -40.86 22.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.997 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -66.92 -18.71 65.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.321 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.576 ' HD2' ' CD1' ' A' ' 92' ' ' PHE . 1.2 tppp? -81.51 -59.19 2.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.63 -17.77 9.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.407 ' OD1' ' CG ' ' A' ' 30' ' ' ASP . 0.2 OUTLIER -81.86 -53.01 6.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.319 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.576 ' CZ ' HD23 ' A' ' 116' ' ' LEU . 77.0 t80 -57.2 -46.55 82.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 0.0 111.028 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 1.5 mt -53.91 -34.49 25.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -69.65 -65.51 0.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.494 ' CZ ' ' HB3' ' A' ' 32' ' ' LYS . 0.9 OUTLIER -49.66 -29.95 8.2 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.805 -179.912 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.576 HD23 ' CZ ' ' A' ' 112' ' ' PHE . 2.3 mm? -74.85 -44.12 50.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.6 pp -86.37 10.15 15.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 24.1 m -97.34 -68.82 0.78 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.54 1.15 . . . . 0.0 110.39 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -61.46 101.48 0.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 110.268 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 69.3 p -99.53 43.76 1.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.385 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.37 149.94 0.97 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -71.69 166.94 27.9 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.344 3.363 . . . . 0.0 109.593 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 2.5 m -73.59 -58.63 3.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 110.401 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 2.3 mttt . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 179.974 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' HEC . . . . . 0.541 ' CMA' ' CZ ' ' A' ' 92' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.516 ' O ' ' CB ' ' A' ' 2' ' ' VAL . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.516 ' CB ' ' O ' ' A' ' 1' ' ' ASP . 3.0 t 86.95 -38.86 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.6 m -57.23 -16.5 8.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.435 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -106.01 -67.09 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.259 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -43.04 -32.76 0.71 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.45 ' CB ' ' O ' ' A' ' 2' ' ' VAL . 19.3 tp10 -70.01 -44.78 68.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 4' ' ' ASN . 0.1 OUTLIER -57.87 -47.28 83.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.2 mt -54.5 -53.4 54.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.26 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.444 ' CG2' HG23 ' A' ' 113' ' ' ILE . 62.1 t -54.36 -53.01 33.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -71.33 -2.7 17.22 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.014 -0.993 . . . . 0.0 109.827 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 7' ' ' LYS . 26.7 mmtt -101.4 -72.96 0.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -50.48 -22.06 1.76 Allowed 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.823 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.44 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 27.9 m -76.28 -45.7 31.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 110.397 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.423 ' O ' ' N ' ' A' ' 18' ' ' SER . 2.1 m120 -60.79 -51.11 70.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.4 mt -53.8 -46.22 62.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.07 -40.91 95.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.342 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.464 ' ND1' ' O ' ' A' ' 23' ' ' TYR . 13.8 t60 -71.23 -31.15 67.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.102 . . . . 0.0 109.658 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 14' ' ' ASN . 31.6 t -70.88 -16.68 62.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.102 . . . . 0.0 110.017 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -101.96 -31.06 10.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.259 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.452 ' ND2' ' SD ' ' A' ' 22' ' ' MET . 0.1 OUTLIER -141.87 114.03 6.49 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -77.2 48.55 2.56 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.283 3.322 . . . . 0.0 109.601 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.452 ' SD ' ' ND2' ' A' ' 20' ' ' ASN . 24.7 ptt? -151.54 39.08 0.64 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 111.047 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.464 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 51.3 t80 -150.49 122.47 8.21 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.816 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -101.0 -45.57 5.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.472 ' CB ' ' CD ' ' A' ' 26' ' ' PRO . . . -167.14 175.99 1.89 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.252 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.472 ' CD ' ' CB ' ' A' ' 25' ' ' ALA . 23.7 Cg_exo -68.69 -172.97 0.51 Allowed 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.326 3.351 . . . . 0.0 109.584 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.14 21.57 1.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.986 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 44.7 pt 43.91 49.56 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 109.324 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 92.5 m -127.94 -62.87 1.04 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.132 . . . . 0.0 110.431 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.84 -37.16 2.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.582 ' O ' ' CD2' ' A' ' 115' ' ' TYR . . . -69.22 58.94 0.59 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.485 1.116 . . . . 0.0 111.023 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.48 ' HG2' ' CZ ' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -161.67 -62.02 0.05 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.537 0.787 . . . . 0.0 109.304 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 22.7 mt -76.81 -49.3 23.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.613 ' CZ ' ' CD ' ' A' ' 108' ' ' GLU . 32.0 t80 -54.9 -19.83 7.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.604 ' CD1' ' CB ' ' A' ' 49' ' ' CYS . 87.0 t80 -109.23 4.09 22.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.424 ' OD1' ' O ' ' A' ' 35' ' ' PHE . 82.0 m-20 -142.21 27.89 1.73 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.418 1.074 . . . . 0.0 109.27 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 39' ' ' PHE . 2.3 tpm_? -105.11 94.47 5.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -45.41 94.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.601 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 25.6 p90 -107.51 158.24 17.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.976 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.89 139.89 41.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.0 p -87.95 154.78 52.72 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.428 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.429 ' CD ' ' O ' ' A' ' 100' ' ' LEU . 44.9 Cg_endo -60.91 -7.98 8.76 Favored 'Trans proline' 0 N--CA 1.448 -1.202 0 C-N-CA 124.313 3.342 . . . . 0.0 109.604 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -102.21 32.49 3.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.021 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 45.8 79.6 0.06 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.56 1.162 . . . . 0.0 110.985 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 20.4 ttpt -174.88 129.46 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 0.742 . . . . 0.0 109.327 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -88.93 124.17 33.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.245 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -136.89 -171.07 2.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.601 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -171.72 154.33 3.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.107 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.604 ' CB ' ' CD1' ' A' ' 35' ' ' PHE . 22.0 m -70.69 -8.14 49.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 108.311 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.427 ' O ' ' HA ' ' A' ' 54' ' ' THR . . . -106.5 4.61 28.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.401 ' HB2' ' O ' ' A' ' 48' ' ' ALA . 0.3 OUTLIER -83.92 -20.17 33.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.964 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 85.8 m -123.69 -47.73 1.94 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 108.248 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.51 ' O ' ' OG1' ' A' ' 54' ' ' THR . 56.6 m-70 -89.49 16.46 7.62 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 115.034 -0.984 . . . . 0.0 109.709 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.51 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 51.4 p 50.07 170.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 110.388 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -52.52 -25.71 11.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -129.01 124.76 22.56 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 109.313 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.479 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 60.2 Cg_endo -70.58 -37.97 6.58 Favored 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.301 3.334 . . . . 0.0 109.6 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.404 ' HA ' ' CB ' ' A' ' 74' ' ' ALA . . . -60.45 -14.22 18.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -91.61 173.66 7.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.336 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.3 t -75.5 121.86 28.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 70' ' ' ILE . . . -92.19 -174.85 42.2 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.536 1.147 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -161.71 135.34 6.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 0.795 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.42 ' ND2' ' CD1' ' A' ' 70' ' ' ILE . 89.1 m-20 -85.24 131.28 34.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.3 pt -85.36 6.75 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 64.6 t -88.13 -52.33 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 76.7 p -109.46 -33.46 6.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 110.375 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 80.93 36.46 21.89 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.522 1.139 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.402 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 0.2 OUTLIER -83.63 -95.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 0.743 . . . . 0.0 109.264 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.402 ' HB3' ' O ' ' A' ' 68' ' ' LYS . 11.3 pt-20 -179.21 122.88 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.42 ' CD1' ' ND2' ' A' ' 63' ' ' ASN . 2.6 mm -109.39 106.7 58.94 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.401 ' HB2' ' NH2' ' A' ' 81' ' ' ARG . 78.4 Cg_exo -49.62 165.13 0.29 Allowed 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.29 3.327 . . . . 0.0 109.628 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -41.61 127.44 3.38 Favored 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.306 3.338 . . . . 0.0 109.649 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 75' ' ' PRO . 5.3 tp -84.41 -28.46 26.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.275 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 73' ' ' LEU . . . -37.1 96.51 0.11 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.583 ' HB2' ' CD2' ' A' ' 82' ' ' PHE . 21.9 Cg_exo -67.01 54.13 0.44 Allowed 'Trans proline' 0 N--CA 1.448 -1.187 0 C-N-CA 124.306 3.337 . . . . 0.0 109.568 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.436 ' NH1' ' CG2' ' A' ' 120' ' ' THR . 10.0 ttt180 -166.05 -53.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.275 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 14.3 t -44.6 -41.92 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.456 ' N ' ' OD1' ' A' ' 78' ' ' ASN . 0.4 OUTLIER -92.01 153.09 19.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.2 p -93.49 3.46 55.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.38 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.76 45.16 2.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.401 ' NH2' ' HB2' ' A' ' 71' ' ' PRO . 28.9 mmt-85 -146.24 145.79 30.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 110.267 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.583 ' CD2' ' HB2' ' A' ' 75' ' ' PRO . 0.4 OUTLIER 56.34 44.39 24.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 111.033 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.512 ' O ' ' CG2' ' A' ' 83' ' ' THR . 1.4 m -121.88 58.71 1.01 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 110.39 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 85' ' ' ILE . 37.4 p-10 177.36 66.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.412 ' C ' ' O ' ' A' ' 84' ' ' ASP . 7.2 mt -39.48 -47.98 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.257 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -41.05 -57.98 1.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -101.16 98.01 8.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 109.262 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER 173.82 -34.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.155 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -72.15 -46.82 54.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 110.295 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -74.75 -45.4 44.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 6.7 mm-40 -53.94 -20.75 6.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.345 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.61 ' CZ ' ' CMA' ' A' ' 125' ' ' HEC . 0.1 OUTLIER -85.74 -25.23 26.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.446 ' CG2' ' OD2' ' A' ' 103' ' ' ASP . 1.0 OUTLIER -89.06 -30.49 18.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.427 1.08 . . . . 0.0 110.435 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.5 mmtt -76.67 -32.76 58.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.249 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.589 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.5 t60 -66.79 -58.54 4.85 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.019 -0.992 . . . . 0.0 109.75 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 41.5 m -56.45 -25.96 52.27 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.566 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.429 ' HA ' ' N ' ' A' ' 102' ' ' ALA . 1.6 m-80 -80.32 -12.3 59.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.89 7.67 12.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.589 HG13 ' CE1' ' A' ' 95' ' ' HIS . 47.3 mm -124.69 -45.59 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.255 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.466 HD22 ' CE1' ' A' ' 39' ' ' PHE . 47.1 mt -103.66 -28.69 11.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 104.78 10.51 32.6 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.435 1.085 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.429 ' N ' ' HA ' ' A' ' 97' ' ' ASN . . . -164.2 -174.24 3.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 0.746 . . . . 0.0 109.306 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.446 ' OD2' ' CG2' ' A' ' 93' ' ' THR . 13.4 t0 -88.26 124.57 34.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.227 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 14.5 m -54.13 164.19 0.68 Allowed 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.605 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.495 ' O ' ' HG3' ' A' ' 108' ' ' GLU . 23.2 t -76.9 144.11 71.97 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.982 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.402 ' HD2' ' OG ' ' A' ' 105' ' ' SER . 66.8 Cg_endo -64.29 -10.08 22.36 Favored 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.288 3.325 . . . . 0.0 109.643 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 63.1 p -100.42 -46.91 5.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.013 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.613 ' CD ' ' CZ ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -66.9 -8.46 29.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.582 ' HD2' ' CD1' ' A' ' 92' ' ' PHE . 2.3 tppp? -92.63 -64.48 1.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -47.04 -25.06 0.74 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.421 ' N ' ' C ' ' A' ' 109' ' ' LYS . 0.4 OUTLIER -73.53 -58.13 3.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.648 ' CE2' ' CD1' ' A' ' 116' ' ' LEU . 45.8 t80 -51.53 -43.26 62.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 111.023 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.444 HG23 ' CG2' ' A' ' 9' ' ' VAL . 1.8 mt -55.21 -34.28 32.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 117' ' ' LEU . . . -70.86 -65.86 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.582 ' CD2' ' O ' ' A' ' 31' ' ' GLY . 0.6 OUTLIER -44.37 -31.65 1.11 Allowed 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.863 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.648 ' CD1' ' CE2' ' A' ' 112' ' ' PHE . 16.9 mt -74.84 -42.2 58.42 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.476 ' O ' ' CD1' ' A' ' 117' ' ' LEU . 1.1 pp -92.07 28.61 1.82 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 2.4 m -119.54 -62.33 1.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.428 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -72.67 123.49 23.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.322 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.436 ' CG2' ' NH1' ' A' ' 76' ' ' ARG . 61.5 p -123.98 48.76 1.85 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.377 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -166.56 113.34 0.71 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -47.1 174.5 0.02 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.321 3.347 . . . . 0.0 109.627 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 3.4 m -63.88 -48.69 75.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.405 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 9.1 ptmt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 179.997 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' HEC . . . . . 0.61 ' CMA' ' CZ ' ' A' ' 92' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.487 ' O ' ' CG1' ' A' ' 2' ' ' VAL . 1.5 p -90.84 42.77 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.8 14.39 3.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.409 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.482 ' O ' ' N ' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -105.02 -63.61 1.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.517 ' CB ' ' CD2' ' A' ' 117' ' ' LEU . . . -37.74 -52.31 1.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -43.85 -46.01 7.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 110.338 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 4' ' ' ASN . 0.0 OUTLIER -57.83 -55.18 38.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.414 ' N ' ' HD2' ' A' ' 7' ' ' LYS . 9.9 mt -47.62 -45.77 27.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.438 ' O ' ' CB ' ' A' ' 13' ' ' THR . 89.5 t -57.34 -52.18 60.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -74.13 -0.12 15.63 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.837 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.5 tptt -100.87 -72.04 0.69 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -53.52 -21.01 5.59 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.814 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.438 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 50.1 m -78.83 -50.49 11.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.442 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -58.72 -54.85 42.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.5 mt -49.18 -49.34 16.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.469 ' O ' ' ND2' ' A' ' 20' ' ' ASN . . . -56.52 -49.98 73.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.47 ' ND1' ' O ' ' A' ' 23' ' ' TYR . 9.8 t60 -61.92 -31.92 72.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.562 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 34.5 t -69.33 -12.26 61.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.117 . . . . 0.0 110.004 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -98.79 -39.29 8.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.496 ' N ' HD21 ' A' ' 20' ' ' ASN . 0.4 OUTLIER -144.89 134.29 11.38 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 0.0 109.311 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -82.37 52.69 4.2 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.289 3.326 . . . . 0.0 109.6 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 24.2 ptm -151.28 40.77 0.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.983 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.47 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 20.9 t80 -152.71 108.25 3.29 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.82 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -91.28 -48.15 7.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 110.278 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.447 ' CB ' ' CD ' ' A' ' 26' ' ' PRO . . . -156.37 175.02 3.45 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.447 ' CD ' ' CB ' ' A' ' 25' ' ' ALA . 7.0 Cg_exo -75.01 -170.09 0.73 Allowed 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.346 3.364 . . . . 0.0 109.573 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.0 t -137.9 160.8 38.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.003 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.3 pt -115.26 25.81 4.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 64.8 m -149.76 36.55 0.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.39 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 33' ' ' ILE . 7.8 t70 -145.62 -44.91 0.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.466 ' N ' HD22 ' A' ' 111' ' ' ASN . . . -47.89 -22.62 2.11 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.471 1.107 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.482 ' HB3' ' CZ ' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -72.94 -35.75 67.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 0.743 . . . . 0.0 109.268 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 30' ' ' ASP . 31.5 mt -71.3 -55.28 14.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -60.27 -13.33 12.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.52 ' CD1' ' CB ' ' A' ' 49' ' ' CYS . 89.2 t80 -112.33 4.52 17.71 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.095 . . . . 0.0 110.989 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.418 ' OD1' ' O ' ' A' ' 35' ' ' PHE . 73.7 m-20 -140.1 23.48 2.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.5 ttt85 -105.67 98.23 7.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.305 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.8 ttmt -51.61 95.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.245 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.556 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 26.2 p90 -99.12 164.73 12.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.75 148.39 26.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 67.1 p -104.61 154.04 38.76 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.398 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -67.4 -4.88 12.68 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.304 3.336 . . . . 0.0 109.572 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 p -106.36 27.01 9.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.142 . . . . 0.0 109.998 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.408 ' O ' ' HB2' ' A' ' 45' ' ' LYS . . . 46.3 79.54 0.06 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.491 1.119 . . . . 0.0 110.961 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 44' ' ' GLY . 0.6 OUTLIER 176.31 95.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 0.785 . . . . 0.0 109.291 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.21 154.85 2.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.272 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -165.36 176.48 8.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.363 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.556 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -154.99 154.56 32.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.52 ' CB ' ' CD1' ' A' ' 35' ' ' PHE . 58.7 m -66.83 -10.67 50.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 108.322 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.466 ' CB ' ' HA ' ' A' ' 55' ' ' ASN . . . -105.49 7.01 32.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.488 ' OG ' ' CMC' ' A' ' 125' ' ' HEC . 91.1 p -76.56 -31.01 57.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.414 1.071 . . . . 0.0 110.011 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 63.9 m -117.17 -45.55 2.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 108.3 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.514 ' O ' ' OG1' ' A' ' 54' ' ' THR . 67.4 m-70 -84.51 13.96 5.02 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.73 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.514 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 74.0 p 50.72 170.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 110.442 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.466 ' HA ' ' CB ' ' A' ' 50' ' ' ALA . 5.8 p30 -55.15 -21.64 14.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -130.3 125.05 21.6 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -72.17 -45.34 0.67 Allowed 'Trans proline' 0 N--CA 1.447 -1.245 0 C-N-CA 124.285 3.324 . . . . 0.0 109.625 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.411 ' HA ' ' CB ' ' A' ' 74' ' ' ALA . . . -55.48 -17.95 6.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -85.71 172.73 10.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.251 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 70.3 t -77.29 120.1 27.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 109.325 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 70' ' ' ILE . . . -90.4 -175.85 44.71 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.526 1.142 . . . . 0.0 111.051 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.3 ttmm -159.38 136.91 9.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.429 0.723 . . . . 0.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.438 ' ND2' ' CD1' ' A' ' 70' ' ' ILE . 86.5 m-20 -87.1 130.8 34.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.261 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.0 pt -84.76 8.14 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 53.4 t -89.8 -53.68 8.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.264 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 77.6 p -108.64 -31.76 7.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.343 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 78.77 37.15 27.05 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.515 1.134 . . . . 0.0 111.025 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.1 mmtt -84.26 -95.32 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 0.774 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -178.71 122.67 0.09 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.123 . . . . 0.0 110.317 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.438 ' CD1' ' ND2' ' A' ' 63' ' ' ASN . 3.1 mm -108.81 105.65 57.43 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -48.86 164.8 0.21 Allowed 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.333 3.355 . . . . 0.0 109.555 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -42.69 128.75 5.03 Favored 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.294 3.329 . . . . 0.0 109.616 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 75' ' ' PRO . 5.7 tp -85.06 -23.85 28.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 73' ' ' LEU . . . -37.17 97.4 0.13 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.584 ' HB3' ' CD1' ' A' ' 82' ' ' PHE . 21.6 Cg_exo -66.38 55.01 0.4 Allowed 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.333 3.355 . . . . 0.0 109.595 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 74' ' ' ALA . 3.4 ttt180 -169.72 -51.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.319 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 18.2 t -46.22 -42.15 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.478 ' N ' ' OD1' ' A' ' 78' ' ' ASN . 0.2 OUTLIER -97.17 146.33 25.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 19.7 p -80.14 -24.2 40.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.417 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp -93.03 46.37 1.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.117 . . . . 0.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 64.3 mmt-85 -146.27 142.72 28.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.278 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.584 ' CD1' ' HB3' ' A' ' 75' ' ' PRO . 0.8 OUTLIER 53.29 40.47 31.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 111.023 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.507 ' O ' ' CG2' ' A' ' 83' ' ' THR . 1.4 m -117.8 58.4 0.8 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.372 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 46.2 p-10 176.2 65.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.459 ' CG2' ' HE3' ' A' ' 7' ' ' LYS . 96.8 mt -41.25 -48.92 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -42.23 -56.7 2.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 11.6 tttt -102.55 92.99 4.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.31 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER 175.85 -35.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.45 -12.99 60.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.299 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -99.55 -48.57 4.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.258 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -55.72 -33.71 64.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.324 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.668 ' CZ ' ' CMA' ' A' ' 125' ' ' HEC . 0.1 OUTLIER -66.35 -26.73 67.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 110.991 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.2 m -89.69 -34.76 16.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.406 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.04 -29.25 63.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.57 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.3 t60 -67.65 -58.11 5.24 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.802 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . 0.412 ' C ' ' O ' ' A' ' 102' ' ' ALA . 5.9 m -55.81 -23.82 32.56 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.588 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.467 ' HA ' ' N ' ' A' ' 102' ' ' ALA . 2.2 m-80 -80.38 -13.69 58.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -117.57 4.21 12.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.57 HG13 ' CE1' ' A' ' 95' ' ' HIS . 20.4 mm -119.05 -49.81 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 50.2 mt -100.41 -26.25 13.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 103.56 11.34 33.41 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.538 1.149 . . . . 0.0 111.024 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.467 ' N ' ' HA ' ' A' ' 97' ' ' ASN . . . -168.8 -174.84 2.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 0.767 . . . . 0.0 109.258 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -84.71 126.76 33.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 55.0 m -64.69 161.04 18.62 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 114.966 -1.016 . . . . 0.0 109.59 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.473 ' HB3' ' CG ' ' A' ' 108' ' ' GLU . 33.2 t -66.46 143.73 98.35 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.441 1.088 . . . . 0.0 110.008 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -60.06 -20.39 60.69 Favored 'Trans proline' 0 N--CA 1.447 -1.246 0 C-N-CA 124.332 3.354 . . . . 0.0 109.599 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 64.4 p -88.92 -43.12 11.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.958 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.473 ' CG ' ' HB3' ' A' ' 105' ' ' SER . 9.1 mm-40 -59.05 -15.61 14.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.571 ' HD2' ' CD1' ' A' ' 92' ' ' PHE . 2.4 tppt? -80.64 -65.11 1.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -53.17 -20.59 4.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.466 HD22 ' N ' ' A' ' 31' ' ' GLY . 0.6 OUTLIER -73.87 -37.2 64.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.582 ' CD2' HD13 ' A' ' 116' ' ' LEU . 40.5 t80 -79.45 -44.74 20.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.967 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.433 HG23 ' CG2' ' A' ' 9' ' ' VAL . 2.5 mt -54.95 -43.63 69.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 115' ' ' TYR . . . -60.26 -70.11 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.482 ' CZ ' ' HB3' ' A' ' 32' ' ' LYS . 1.5 t80 -38.02 -47.42 1.1 Allowed 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.807 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.582 HD13 ' CD2' ' A' ' 112' ' ' PHE . 27.5 mt -59.95 -64.75 0.84 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.517 ' CD2' ' CB ' ' A' ' 5' ' ' ALA . 59.2 mt -41.7 -37.56 1.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -72.24 -43.22 64.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.382 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 116' ' ' LEU . 3.7 mm-40 -60.86 113.57 2.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.418 HG23 ' NH1' ' A' ' 76' ' ' ARG . 35.2 p -132.21 36.75 3.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.422 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.5 ptmt -175.62 150.2 1.14 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -62.3 166.5 12.87 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.313 3.342 . . . . 0.0 109.61 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 5.1 t -53.97 -33.34 56.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 110.407 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' HEC . . . . . 0.668 ' CMA' ' CZ ' ' A' ' 92' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 82' ' ' PHE . 2.1 t70 . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 53.6 t -75.91 -54.9 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 48.6 m -57.6 -30.42 65.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.378 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.502 ' HB3' ' CG1' ' A' ' 85' ' ' ILE . 0.6 OUTLIER -78.07 -47.41 18.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.01 -48.22 79.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -64.17 -34.96 79.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 110.328 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.8 tptp -63.93 -49.37 72.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.347 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.6 mt -52.31 -50.11 62.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.467 ' CG2' HG23 ' A' ' 113' ' ' ILE . 59.5 t -55.88 -56.51 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -63.88 -10.35 20.25 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.862 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.1 tptt -95.33 -73.81 0.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.435 ' CE1' ' HG2' ' A' ' 109' ' ' LYS . 73.9 m-85 -48.45 -23.72 1.04 Allowed 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.979 -1.009 . . . . 0.0 109.785 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.456 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 54.7 m -77.31 -53.05 8.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.108 . . . . 0.0 110.363 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.409 ' O ' ' N ' ' A' ' 18' ' ' SER . 2.3 t30 -56.58 -56.01 26.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.7 mt -47.59 -50.11 9.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.2 -46.97 87.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.27 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.463 ' ND1' ' O ' ' A' ' 23' ' ' TYR . 71.0 t60 -62.7 -31.5 72.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.656 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 14' ' ' ASN . 42.4 t -71.64 -18.47 62.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 110.055 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -100.53 -24.53 14.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.422 ' ND2' ' HG2' ' A' ' 22' ' ' MET . 0.1 OUTLIER -146.65 114.51 4.4 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -78.78 42.92 1.35 Allowed 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 124.291 3.328 . . . . 0.0 109.585 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.422 ' HG2' ' ND2' ' A' ' 20' ' ' ASN . 4.3 ptt? -145.45 34.33 1.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 111.027 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.463 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 63.3 t80 -153.67 111.4 3.53 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.001 -1.0 . . . . 0.0 109.818 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -91.64 -48.76 6.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.439 ' CB ' ' CD ' ' A' ' 26' ' ' PRO . . . -167.01 174.76 2.4 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.439 ' CD ' ' CB ' ' A' ' 25' ' ' ALA . 7.1 Cg_exo -74.8 -169.16 0.58 Allowed 'Trans proline' 0 N--CA 1.448 -1.193 0 C-N-CA 124.286 3.324 . . . . 0.0 109.569 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.98 22.65 0.57 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.015 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 37.8 pt 42.86 36.09 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.352 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.435 ' CG2' ' O ' ' A' ' 29' ' ' THR . 2.8 m -138.42 11.31 2.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.433 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.29 -33.34 5.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.596 ' O ' ' CD2' ' A' ' 115' ' ' TYR . . . -75.87 56.75 3.08 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.539 1.149 . . . . 0.0 110.96 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.77 -66.72 0.4 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 0.771 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 12.9 mt -63.34 -49.91 80.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.37 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.623 ' CE2' ' OE1' ' A' ' 108' ' ' GLU . 38.4 t80 -56.35 -20.31 18.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.53 ' CE2' ' HD3' ' A' ' 57' ' ' PRO . 86.6 t80 -109.14 5.91 24.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.944 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.41 ' OD1' ' O ' ' A' ' 35' ' ' PHE . 75.3 m-20 -140.21 23.23 2.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.25 105.1 15.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.315 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -57.64 93.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.571 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 24.5 p90 -98.17 163.59 12.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.4 tttm -107.89 142.56 37.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.5 p -97.52 153.97 38.14 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.43 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.417 ' CD ' ' O ' ' A' ' 100' ' ' LEU . 60.2 Cg_endo -64.22 -8.17 15.8 Favored 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.271 3.314 . . . . 0.0 109.621 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.8 p -103.17 34.31 2.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.967 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 40.17 79.2 0.05 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.509 1.13 . . . . 0.0 110.993 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.7 tttm 178.44 105.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.771 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.76 152.63 35.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.42 1.075 . . . . 0.0 110.309 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -164.23 178.98 7.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.571 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -158.03 155.26 29.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.56 ' O ' ' HB2' ' A' ' 53' ' ' HIS . 60.8 m -68.91 -10.35 56.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 108.28 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.43 ' CB ' ' HA ' ' A' ' 55' ' ' ASN . . . -106.61 8.72 31.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.2 p -75.79 -37.26 59.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.005 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 28.6 m -113.13 -42.54 3.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 108.303 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.56 ' HB2' ' O ' ' A' ' 49' ' ' CYS . 66.6 m-70 -84.56 12.52 6.88 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.745 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.52 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 41.1 p 50.36 171.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.374 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.43 ' HA ' ' CB ' ' A' ' 50' ' ' ALA . 5.4 p30 -52.32 -21.56 3.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -136.31 126.83 16.48 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.332 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.53 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 63.4 Cg_endo -70.29 -44.23 1.82 Allowed 'Trans proline' 0 N--CA 1.447 -1.255 0 C-N-CA 124.35 3.367 . . . . 0.0 109.59 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.75 -18.8 3.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.271 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -87.11 175.7 7.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 109.338 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 77.5 t -75.92 127.85 37.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -100.64 -174.45 29.57 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.476 1.11 . . . . 0.0 110.962 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -163.25 135.7 5.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.758 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.417 ' ND2' HD12 ' A' ' 70' ' ' ILE . 90.1 m-20 -83.9 129.97 34.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 6.8 pt -84.35 6.21 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 60.5 t -87.6 -55.61 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 50.0 p -106.39 -33.78 7.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.396 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 81.88 36.07 19.93 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.469 1.106 . . . . 0.0 110.982 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.1 mmtt -81.98 -95.78 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 0.758 . . . . 0.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -178.85 123.92 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 110.294 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.417 HD12 ' ND2' ' A' ' 63' ' ' ASN . 2.7 mm -113.86 101.49 53.92 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -49.83 167.38 0.2 Allowed 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.337 3.358 . . . . 0.0 109.583 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_exo -37.58 135.31 0.49 Allowed 'Trans proline' 0 N--CA 1.447 -1.246 0 C-N-CA 124.275 3.317 . . . . 0.0 109.62 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 75' ' ' PRO . 11.6 tp -91.61 -21.62 20.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 73' ' ' LEU . . . -36.8 98.5 0.16 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.584 ' HB3' ' CD1' ' A' ' 82' ' ' PHE . 34.3 Cg_exo -61.27 -11.81 20.82 Favored 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.273 3.315 . . . . 0.0 109.621 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.417 ' NH1' HD11 ' A' ' 117' ' ' LEU . 7.0 ttm180 -101.07 -47.96 4.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 37.4 t -49.14 -42.45 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.46 ' N ' ' OD1' ' A' ' 78' ' ' ASN . 0.2 OUTLIER -107.54 115.75 30.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.125 . . . . 0.0 109.333 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.17 -10.7 24.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 110.407 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.4 mtpt -101.08 35.93 2.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.262 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.604 ' O ' ' CD1' ' A' ' 82' ' ' PHE . 0.8 OUTLIER -147.01 43.06 1.14 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 110.343 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.604 ' CD1' ' O ' ' A' ' 81' ' ' ARG . 0.3 OUTLIER 162.05 39.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 111.034 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 64.2 m -111.85 49.91 0.87 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.36 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 63.7 t0 177.45 71.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.502 ' CG1' ' HB3' ' A' ' 4' ' ' ASN . 20.7 mt -40.36 -45.29 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -49.47 -54.17 19.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -93.04 81.98 4.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER 178.65 -36.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.12 -37.72 53.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 110.269 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -75.32 -45.54 38.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -57.41 -35.06 69.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 0.0 110.304 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.697 ' CZ ' ' CMA' ' A' ' 125' ' ' HEC . 0.1 OUTLIER -66.5 -22.98 66.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 111.003 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.472 ' CG2' ' OD2' ' A' ' 103' ' ' ASP . 1.2 m -90.0 -38.11 13.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.37 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.6 mmmt -71.15 -30.36 66.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.517 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.4 t60 -68.22 -60.0 2.8 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 114.955 -1.021 . . . . 0.0 109.771 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 102' ' ' ALA . 10.7 m -55.21 -21.8 15.32 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.574 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -85.69 -11.39 53.86 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -119.05 9.77 11.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.423 1.077 . . . . 0.0 109.265 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.517 HG13 ' CE1' ' A' ' 95' ' ' HIS . 48.8 mm -126.53 -46.69 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.417 ' O ' ' CD ' ' A' ' 42' ' ' PRO . 70.5 mt -101.95 -32.37 10.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 107.72 13.53 20.04 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.547 1.154 . . . . 0.0 110.966 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 96' ' ' CYS . . . -166.04 -173.17 2.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 0.762 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.472 ' OD2' ' CG2' ' A' ' 93' ' ' THR . 6.0 t0 -91.71 124.7 36.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 35.8 m -59.44 162.95 4.39 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.585 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.472 ' O ' ' HG3' ' A' ' 108' ' ' GLU . 80.8 p -74.51 149.92 86.62 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.991 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -65.92 -8.29 19.38 Favored 'Trans proline' 0 N--CA 1.448 -1.177 0 C-N-CA 124.262 3.308 . . . . 0.0 109.597 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 64.6 p -92.97 -44.26 8.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.022 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.623 ' OE1' ' CE2' ' A' ' 34' ' ' PHE . 1.0 OUTLIER -65.69 -27.12 68.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.554 ' HD2' ' CG ' ' A' ' 92' ' ' PHE . 0.3 OUTLIER -63.69 -60.05 3.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -55.72 -36.57 67.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' A' ' 114' ' ' ALA . 7.1 t-20 -56.82 -68.52 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.567 ' CZ ' HD22 ' A' ' 116' ' ' LEU . 52.2 t80 -44.16 -44.75 7.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.489 ' O ' ' CD2' ' A' ' 117' ' ' LEU . 1.6 mt -55.41 -37.25 44.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.256 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 117' ' ' LEU . . . -65.47 -74.26 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.596 ' CD2' ' O ' ' A' ' 31' ' ' GLY . 0.2 OUTLIER -40.72 -44.64 2.24 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.841 -179.89 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.567 HD22 ' CZ ' ' A' ' 112' ' ' PHE . 3.5 mm? -61.4 -44.97 96.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.501 ' O ' ' CD1' ' A' ' 117' ' ' LEU . 1.0 OUTLIER -91.78 33.59 1.03 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.4 m -136.62 -67.7 0.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.404 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -80.86 62.71 4.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 110.311 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 68.3 p -84.0 67.06 9.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 110.45 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.21 131.52 0.81 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.098 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -44.98 170.23 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.347 3.365 . . . . 0.0 109.568 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 3.3 m -95.37 -56.74 2.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.409 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 15.7 mtmt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.143 . . . . 0.0 109.31 -179.985 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' HEC . . . . . 0.697 ' CMA' ' CZ ' ' A' ' 92' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.472 ' CG ' ' N ' ' A' ' 2' ' ' VAL . 8.2 p-10 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.472 ' N ' ' CG ' ' A' ' 1' ' ' ASP . 65.8 t -44.23 -34.17 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.2 m -42.58 -32.74 0.6 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.413 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.523 ' N ' ' ND2' ' A' ' 4' ' ' ASN . 0.3 OUTLIER -80.14 -48.95 12.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.412 ' HB1' ' CD2' ' A' ' 117' ' ' LEU . . . -48.92 -49.32 40.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 -66.52 -30.45 70.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.297 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.464 ' C ' ' CD ' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -70.36 -46.36 64.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.3 mt -55.88 -46.7 78.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.461 ' O ' ' CB ' ' A' ' 13' ' ' THR . 91.5 t -56.94 -55.62 19.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -67.52 -6.09 18.16 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.855 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.406 ' CG ' ' HD3' ' A' ' 7' ' ' LYS . 1.3 mmtm -97.13 -73.67 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -50.81 -21.72 1.81 Allowed 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.823 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.461 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 22.0 m -75.56 -47.09 28.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.388 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -61.22 -52.5 64.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.7 mt -52.64 -44.24 45.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.248 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.29 -38.53 87.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 0.0 109.306 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.46 ' ND1' ' O ' ' A' ' 23' ' ' TYR . 12.2 t60 -74.67 -29.65 61.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.14 . . . . 0.0 109.561 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 45.3 t -70.21 -6.32 33.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.999 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -114.86 -43.18 3.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 62.2 t-20 -126.65 118.95 22.78 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -78.87 38.81 0.74 Allowed 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.273 3.315 . . . . 0.0 109.62 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -141.26 34.22 1.7 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 111.002 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.46 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 14.2 t80 -139.61 108.62 6.02 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.811 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -96.61 -48.02 5.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -164.13 153.77 12.34 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -51.33 176.14 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.363 3.375 . . . . 0.0 109.621 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.1 20.58 2.1 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 0.0 110.046 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 32.5 pt 40.8 47.65 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.243 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 30' ' ' ASP . 93.5 m -127.51 -70.39 0.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 110.414 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.3 OUTLIER -39.9 -33.29 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.583 ' O ' ' CD2' ' A' ' 115' ' ' TYR . . . -76.17 58.55 3.19 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.544 1.153 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.444 ' HG2' ' CZ ' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -157.69 -63.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 0.78 . . . . 0.0 109.348 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 43.7 mt -72.32 -47.78 51.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.595 ' CD1' ' OE1' ' A' ' 108' ' ' GLU . 25.3 t80 -55.34 -21.77 16.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 111.007 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.579 ' CD1' ' HB2' ' A' ' 49' ' ' CYS . 87.8 t80 -106.9 8.94 30.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 111.036 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -145.86 26.73 1.23 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 39' ' ' PHE . 2.6 tpm_? -108.03 97.47 7.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.277 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -49.31 94.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.581 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 24.7 p90 -100.79 164.17 11.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -104.97 148.79 26.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 23.6 p -106.44 153.18 40.66 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.353 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -69.89 -4.08 13.4 Favored 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.298 3.332 . . . . 0.0 109.563 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.492 ' OG ' ' CE ' ' A' ' 45' ' ' LYS . 23.6 p -87.46 -11.37 49.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.972 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.456 ' O ' ' CD ' ' A' ' 45' ' ' LYS . . . 91.35 67.95 1.16 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.471 1.107 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.492 ' CE ' ' OG ' ' A' ' 43' ' ' SER . 0.0 OUTLIER 172.41 146.19 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 0.723 . . . . 0.0 109.266 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.7 154.27 19.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.346 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -158.44 -169.23 2.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.581 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -169.71 154.13 5.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.254 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.579 ' HB2' ' CD1' ' A' ' 35' ' ' PHE . 29.8 m -70.56 -9.0 55.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 108.317 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.471 ' O ' ' HA ' ' A' ' 54' ' ' THR . . . -105.03 2.76 29.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.414 ' HB2' ' O ' ' A' ' 48' ' ' ALA . 0.3 OUTLIER -82.33 -17.39 45.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.005 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 64.8 m -124.97 -46.07 1.85 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 108.325 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.499 ' O ' ' OG1' ' A' ' 54' ' ' THR . 66.6 m-70 -91.96 17.23 9.57 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.034 -0.985 . . . . 0.0 109.741 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.499 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 45.2 p 49.75 172.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.411 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -53.59 -23.96 12.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.346 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 19.1 t30 -131.6 123.96 19.69 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.359 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.509 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 57.7 Cg_endo -69.66 -36.86 10.27 Favored 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.341 3.361 . . . . 0.0 109.603 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.57 -13.15 19.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -93.11 174.34 7.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.7 t -75.43 121.81 27.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.352 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -91.69 -174.63 42.92 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.2 ttmt -160.35 133.42 6.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 0.764 . . . . 0.0 109.306 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.45 ' ND2' ' CD1' ' A' ' 70' ' ' ILE . 83.2 m-20 -85.86 129.99 34.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 6.6 pt -83.93 5.91 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 0.0 109.27 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 79.4 t -86.22 -55.02 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 71.9 p -109.09 -34.98 6.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.571 1.17 . . . . 0.0 110.389 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 82.05 35.86 20.03 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.5 mmtm -81.65 -93.99 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 0.769 . . . . 0.0 109.306 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -178.51 122.46 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 110.284 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.45 ' CD1' ' ND2' ' A' ' 63' ' ' ASN . 3.0 mm -107.18 106.85 59.43 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -50.31 165.84 0.34 Allowed 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 124.323 3.349 . . . . 0.0 109.605 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.446 ' O ' ' ND2' ' A' ' 78' ' ' ASN . 1.6 Cg_endo -42.68 125.56 3.85 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.328 3.352 . . . . 0.0 109.576 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 75' ' ' PRO . 8.5 tp -76.96 -29.84 55.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.452 ' CB ' ' HB ' ' A' ' 77' ' ' VAL . . . -39.12 99.6 0.2 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.583 ' HB3' ' CD1' ' A' ' 82' ' ' PHE . 24.8 Cg_exo -63.12 -14.72 43.45 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.289 3.326 . . . . 0.0 109.573 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -97.76 -44.79 6.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 110.292 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.452 ' HB ' ' CB ' ' A' ' 74' ' ' ALA . 24.2 t -53.73 -41.3 46.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 72' ' ' PRO . 0.4 OUTLIER -95.07 136.54 35.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.6 p -84.06 -5.97 59.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.362 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.09 40.52 1.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.468 ' CB ' ' HA ' ' A' ' 75' ' ' PRO . 48.2 mmt-85 -142.57 168.2 20.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.263 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.583 ' CD1' ' HB3' ' A' ' 75' ' ' PRO . 2.9 m-30 37.88 53.77 1.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.988 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 90.8 m -100.89 -60.89 1.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.395 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -86.86 106.62 17.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.478 ' CG1' ' HB3' ' A' ' 4' ' ' ASN . 8.6 mt -64.94 -56.09 17.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -40.04 -48.15 2.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.1 mttp -94.18 78.78 4.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER 175.68 -34.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' A' ' 90' ' ' ASP . 0.2 OUTLIER -66.15 -29.76 70.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.4 ' N ' ' HG3' ' A' ' 89' ' ' GLU . 4.1 m-20 -93.95 -44.75 7.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.446 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 3.5 mm-40 -52.93 -19.83 2.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.09 . . . . 0.0 110.323 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.655 ' CZ ' ' CMA' ' A' ' 125' ' ' HEC . 0.1 OUTLIER -84.15 -26.29 28.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.949 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.1 m -88.9 -37.17 15.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 0.0 110.429 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.77 -28.61 66.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.567 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.4 t60 -67.64 -59.09 3.62 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 115.01 -0.996 . . . . 0.0 109.786 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . 0.417 ' C ' ' O ' ' A' ' 102' ' ' ALA . 4.0 m -56.77 -23.89 46.28 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.558 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.435 ' HA ' ' N ' ' A' ' 102' ' ' ALA . 1.9 m-80 -81.16 -13.0 59.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -117.38 4.81 12.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.567 HG13 ' CE1' ' A' ' 95' ' ' HIS . 37.3 mm -121.11 -48.2 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 42.4 mt -101.03 -25.83 13.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 0.0 109.328 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 100.66 12.05 39.05 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.507 1.13 . . . . 0.0 110.987 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.435 ' N ' ' HA ' ' A' ' 97' ' ' ASN . . . -163.9 -171.25 2.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 0.774 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -93.42 124.18 37.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 55.6 m -63.35 161.61 13.75 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.57 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.501 ' OG ' ' CG ' ' A' ' 108' ' ' GLU . 60.3 p -75.45 145.8 79.95 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 110.0 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -61.35 -12.29 23.22 Favored 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.283 3.322 . . . . 0.0 109.583 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 59.6 p -90.53 -45.19 9.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.042 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.595 ' OE1' ' CD1' ' A' ' 34' ' ' PHE . 3.4 mm-40 -62.29 -16.94 57.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.312 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.454 ' C ' ' N ' ' A' ' 111' ' ' ASN . 3.6 mttp -91.97 -64.19 1.14 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.265 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -42.53 -27.22 0.15 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.454 ' N ' ' C ' ' A' ' 109' ' ' LYS . 0.3 OUTLIER -81.07 -59.17 2.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.576 ' CE2' HD23 ' A' ' 116' ' ' LEU . 86.2 t80 -41.13 -46.78 3.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.441 ' O ' ' HG ' ' A' ' 117' ' ' LEU . 2.0 mt -56.85 -46.61 83.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -51.63 -68.17 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.269 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.583 ' CD2' ' O ' ' A' ' 31' ' ' GLY . 0.4 OUTLIER -47.38 -27.75 1.78 Allowed 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.852 -179.921 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.576 HD23 ' CE2' ' A' ' 112' ' ' PHE . 1.2 tp -77.28 -40.03 45.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 113' ' ' ILE . 7.2 mt -66.54 -37.45 85.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -76.25 -60.46 2.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.39 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.469 ' O ' ' CG ' ' A' ' 119' ' ' GLU . 4.7 pt-20 -66.74 118.95 11.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 110.253 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 73.0 p -149.93 35.4 0.68 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.4 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 2.6 mtpm? -134.85 142.55 42.7 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.339 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -80.3 167.39 19.52 Favored 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.353 3.368 . . . . 0.0 109.572 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' THR . . . . . 0.444 ' CG2' ' O ' ' A' ' 123' ' ' THR . 5.1 m -153.26 44.95 0.64 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.378 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' HEC . . . . . 0.655 ' CMA' ' CZ ' ' A' ' 92' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.521 ' O ' ' CB ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.521 ' CB ' ' O ' ' A' ' 1' ' ' ASP . 3.4 t 87.04 -39.82 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.0 m -41.56 -39.49 1.6 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 110.422 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.5 ' HB3' ' CG1' ' A' ' 85' ' ' ILE . 0.2 OUTLIER -81.69 -49.62 10.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.313 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -48.13 -46.83 34.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.4 ' OE2' ' O ' ' A' ' 6' ' ' GLU . 7.4 tp10 -53.6 -44.36 69.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.269 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.26 -56.32 23.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.3 mt -45.68 -47.25 15.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.465 ' CG2' HG23 ' A' ' 113' ' ' ILE . 58.1 t -58.5 -51.56 70.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -71.89 -2.18 16.98 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.84 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.7 tptt -101.28 -73.23 0.65 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.455 ' CB ' ' HB3' ' A' ' 110' ' ' ALA . 82.2 m-85 -50.64 -22.15 1.91 Allowed 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 114.961 -1.018 . . . . 0.0 109.845 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.504 ' CG2' ' O ' ' A' ' 24' ' ' GLU . 27.9 m -76.3 -47.04 25.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.426 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -60.59 -53.34 58.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.9 mt -50.39 -50.67 20.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.21 -53.42 56.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.266 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -58.91 -32.65 69.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.566 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 36.0 t -72.31 -12.77 61.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 110.009 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -108.14 -39.88 5.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.25 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 42.7 m-20 -135.66 94.66 14.81 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.327 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -50.43 -20.59 6.19 Favored 'Trans proline' 0 N--CA 1.447 -1.214 0 C-N-CA 124.349 3.366 . . . . 0.0 109.567 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.42 ' HG3' ' N ' ' A' ' 23' ' ' TYR . 8.0 ptm -70.34 -24.74 63.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.094 . . . . 0.0 111.027 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.42 ' N ' ' HG3' ' A' ' 22' ' ' MET . 46.4 t80 -95.8 123.57 39.44 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.811 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.504 ' O ' ' CG2' ' A' ' 13' ' ' THR . 2.9 mm-40 -116.01 -42.83 3.03 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 110.284 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.441 ' CB ' ' CD ' ' A' ' 26' ' ' PRO . . . -161.67 174.48 3.72 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.441 ' CD ' ' CB ' ' A' ' 25' ' ' ALA . 6.7 Cg_exo -75.3 -179.81 5.41 Favored 'Trans proline' 0 N--CA 1.447 -1.257 0 C-N-CA 124.33 3.353 . . . . 0.0 109.631 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.4 13.41 2.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.006 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.404 ' O ' ' OG1' ' A' ' 29' ' ' THR . 32.0 pt 41.98 50.32 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.35 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.481 ' CG2' ' O ' ' A' ' 29' ' ' THR . 3.9 m -162.56 37.44 0.11 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 110.379 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -143.26 -49.27 0.32 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.474 ' O ' ' N ' ' A' ' 35' ' ' PHE . . . -42.64 -49.29 5.94 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.449 1.093 . . . . 0.0 111.016 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.407 ' O ' ' N ' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -47.39 -72.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 0.754 . . . . 0.0 109.321 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.9 mt -50.01 -44.09 21.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -64.91 -14.18 59.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 111.018 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.544 ' CD1' ' CB ' ' A' ' 49' ' ' CYS . 76.9 t80 -110.92 6.75 21.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.961 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -140.28 23.04 2.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -95.77 103.48 15.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -58.04 87.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.571 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 19.1 p90 -100.51 154.77 18.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.148 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.9 tttm -104.52 139.74 38.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 109.315 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 58.6 p -82.37 153.66 68.7 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.406 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -64.27 -7.6 14.36 Favored 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 124.268 3.312 . . . . 0.0 109.637 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.0 p -101.78 29.66 4.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.026 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.405 ' O ' ' HB2' ' A' ' 45' ' ' LYS . . . 51.45 77.82 0.12 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 44' ' ' GLY . 13.3 ttpp -176.6 134.81 0.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 0.751 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.471 ' CD ' ' N ' ' A' ' 47' ' ' ALA . 4.4 tm-20 -87.96 135.7 33.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.43 1.081 . . . . 0.0 110.27 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.471 ' N ' ' CD ' ' A' ' 46' ' ' GLU . . . -151.75 176.35 11.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.571 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -162.02 152.91 17.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.544 ' CB ' ' CD1' ' A' ' 35' ' ' PHE . 49.2 m -63.6 -13.27 40.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.077 . . . . 0.0 108.277 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.44 ' O ' ' HA ' ' A' ' 54' ' ' THR . . . -102.08 5.94 40.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.41 ' OG ' ' CMC' ' A' ' 125' ' ' HEC . 80.6 p -79.39 -29.3 42.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.044 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 92.6 m -117.78 -48.32 2.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 108.287 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.537 ' O ' ' OG1' ' A' ' 54' ' ' THR . 85.7 m-70 -83.23 12.83 4.76 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.739 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.537 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 57.2 p 51.02 170.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.356 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.406 ' HA ' ' CB ' ' A' ' 50' ' ' ALA . 9.6 p30 -51.36 -25.44 6.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.244 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.4 ' ND2' ' O ' ' A' ' 121' ' ' LYS . 13.7 t30 -130.64 125.95 21.72 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.541 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 73.6 Cg_endo -71.2 -39.43 3.95 Favored 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.313 3.342 . . . . 0.0 109.575 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.445 ' HA ' ' CB ' ' A' ' 74' ' ' ALA . . . -58.71 -15.84 13.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -90.09 173.44 8.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 78.8 t -75.92 130.18 36.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.105 . . . . 0.0 109.341 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -101.7 -174.48 28.2 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.532 1.145 . . . . 0.0 111.012 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.0 tttm -160.57 136.06 8.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 0.754 . . . . 0.0 109.299 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.43 ' ND2' HD12 ' A' ' 70' ' ' ILE . 87.5 m-20 -85.08 127.16 34.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.9 pt -82.82 5.58 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 74.6 t -86.29 -52.94 11.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 75.4 p -109.76 -33.69 6.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.391 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 81.21 35.88 22.57 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.538 1.149 . . . . 0.0 111.018 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 45.6 mttt -82.28 -94.87 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 0.782 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -179.07 124.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 110.299 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.43 HD12 ' ND2' ' A' ' 63' ' ' ASN . 2.8 mm -110.05 102.92 52.41 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.408 ' HB3' ' HD2' ' A' ' 72' ' ' PRO . 76.8 Cg_exo -52.67 167.36 0.62 Allowed 'Trans proline' 0 N--CA 1.447 -1.264 0 C-N-CA 124.294 3.329 . . . . 0.0 109.62 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.408 ' HD2' ' HB3' ' A' ' 71' ' ' PRO . 1.2 Cg_endo -42.47 128.16 4.58 Favored 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.298 3.332 . . . . 0.0 109.601 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.51 ' CD2' ' CE1' ' A' ' 53' ' ' HIS . 5.8 tp -98.7 -22.94 15.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.445 ' CB ' ' HA ' ' A' ' 58' ' ' ALA . . . -36.91 98.59 0.16 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.578 ' HB3' ' CD1' ' A' ' 82' ' ' PHE . 17.4 Cg_exo -66.48 55.7 0.43 Allowed 'Trans proline' 0 N--CA 1.447 -1.214 0 C-N-CA 124.294 3.329 . . . . 0.0 109.613 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 -170.14 -52.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 110.321 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 20.1 t -49.94 -40.11 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.474 ' N ' ' OD1' ' A' ' 78' ' ' ASN . 0.2 OUTLIER -99.88 144.83 28.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.283 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 20.3 p -86.55 2.25 48.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.414 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.3 mtmp? -112.86 41.85 1.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 62.2 mmt-85 -144.87 156.06 43.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.125 . . . . 0.0 110.23 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.578 ' CD1' ' HB3' ' A' ' 75' ' ' PRO . 0.9 OUTLIER 47.59 41.35 13.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 111.035 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 40.5 m -116.63 47.32 1.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 110.401 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -174.99 67.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.5 ' CG1' ' HB3' ' A' ' 4' ' ' ASN . 90.9 mt -41.08 -50.32 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 85' ' ' ILE . 8.7 m-20 -39.1 -57.57 1.27 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.47 95.73 6.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER 174.17 -34.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -68.3 -56.1 9.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.336 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -67.58 -45.31 75.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.422 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 4.4 mm-40 -52.49 -19.41 2.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.272 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.721 ' CZ ' ' CMA' ' A' ' 125' ' ' HEC . 0.1 OUTLIER -86.71 -26.25 24.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.434 ' CG2' ' OD2' ' A' ' 103' ' ' ASP . 1.0 OUTLIER -88.85 -37.42 15.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.406 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 39.6 mmtt -68.48 -32.05 71.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.58 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.2 t60 -66.25 -59.96 3.24 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.759 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . 0.433 ' C ' ' O ' ' A' ' 102' ' ' ALA . 10.0 m -54.83 -23.53 18.77 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.556 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.463 ' HA ' ' N ' ' A' ' 102' ' ' ALA . 1.6 m-80 -80.84 -12.67 59.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -116.49 3.84 13.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.58 HG13 ' CE1' ' A' ' 95' ' ' HIS . 39.3 mm -119.18 -51.24 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 75.1 mt -99.38 -22.66 15.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 99.24 10.16 49.18 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.463 ' N ' ' HA ' ' A' ' 97' ' ' ASN . . . -164.33 -177.31 4.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 0.75 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.434 ' OD2' ' CG2' ' A' ' 93' ' ' THR . 21.7 t0 -86.01 127.09 34.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.082 . . . . 0.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 48.4 m -62.17 161.85 10.48 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.944 -1.026 . . . . 0.0 109.614 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 27.8 t -71.01 141.93 87.16 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.959 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -59.5 -19.31 51.35 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.289 3.326 . . . . 0.0 109.587 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 77.8 p -86.75 -38.68 16.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.984 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -71.81 -6.26 40.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.138 . . . . 0.0 110.302 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.572 ' HD2' ' CD1' ' A' ' 92' ' ' PHE . 0.8 OUTLIER -88.3 -63.58 1.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.17 . . . . 0.0 109.301 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.455 ' HB3' ' CB ' ' A' ' 12' ' ' TYR . . . -54.89 -27.09 40.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -67.53 -50.65 57.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.588 ' CE2' HD23 ' A' ' 116' ' ' LEU . 39.5 t80 -63.04 -45.61 91.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.465 HG23 ' CG2' ' A' ' 9' ' ' VAL . 2.0 mt -54.2 -41.54 52.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 117' ' ' LEU . . . -63.86 -65.2 0.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.431 ' O ' ' N ' ' A' ' 119' ' ' GLU . 0.9 OUTLIER -45.24 -37.7 4.88 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.81 -179.892 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.588 HD23 ' CE2' ' A' ' 112' ' ' PHE . 1.0 OUTLIER -71.87 -37.15 70.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.486 ' O ' ' CD1' ' A' ' 117' ' ' LEU . 0.9 OUTLIER -91.4 20.65 5.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 53.9 m -140.74 -68.39 0.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.387 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 115' ' ' TYR . 0.9 OUTLIER -103.4 84.24 2.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.15 . . . . 0.0 110.356 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.454 ' CG2' ' O ' ' A' ' 120' ' ' THR . 15.0 t -138.95 64.09 1.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.39 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.4 ' O ' ' ND2' ' A' ' 56' ' ' ASN . 5.6 mtpm? -125.0 149.67 64.06 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -74.39 166.54 29.23 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.349 3.366 . . . . 0.0 109.583 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 14.7 m -109.52 -60.86 1.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 110.429 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' HEC . . . . . 0.721 ' CMA' ' CZ ' ' A' ' 92' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.516 ' O ' ' CB ' ' A' ' 2' ' ' VAL . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.516 ' CB ' ' O ' ' A' ' 1' ' ' ASP . 6.0 t 86.41 -42.69 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 51.8 m -66.7 -13.66 61.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.376 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.538 ' N ' ' ND2' ' A' ' 4' ' ' ASN . 0.2 OUTLIER -81.16 -49.55 10.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.411 ' HB1' ' NH2' ' A' ' 76' ' ' ARG . . . -53.55 -47.03 70.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -51.89 -54.31 30.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.304 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 11' ' ' LYS . 1.5 mmtm -51.22 -52.36 45.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.5 mt -47.42 -49.06 25.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.459 ' O ' ' CB ' ' A' ' 13' ' ' THR . 93.4 t -62.93 -50.98 77.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -64.26 -11.5 32.12 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 114.942 -1.026 . . . . 0.0 109.817 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 7' ' ' LYS . 0.5 OUTLIER -98.4 -73.33 0.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -45.76 -24.24 0.35 Allowed 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.825 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.459 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 56.0 m -78.6 -52.02 9.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.357 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -57.91 -54.8 42.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 109.302 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.8 mt -48.09 -49.33 11.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.457 ' O ' ' ND2' ' A' ' 20' ' ' ASN . . . -60.19 -50.4 73.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.459 ' ND1' ' O ' ' A' ' 23' ' ' TYR . 66.8 t60 -58.37 -29.21 65.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.552 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.8 t -71.5 -23.21 61.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 1.166 . . . . 0.0 110.016 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -89.39 -26.59 20.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 16' ' ' ALA . 0.2 OUTLIER -153.41 126.39 4.11 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -82.98 43.79 1.55 Allowed 'Trans proline' 0 N--CA 1.447 -1.209 0 C-N-CA 124.321 3.347 . . . . 0.0 109.627 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.437 ' CG ' ' OD1' ' A' ' 20' ' ' ASN . 3.0 ptt? -144.35 34.53 1.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 111.008 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.459 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 74.1 t80 -154.82 109.29 2.98 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.858 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.423 ' O ' ' CG2' ' A' ' 13' ' ' THR . 3.0 mm-40 -91.17 -48.99 6.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.32 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.462 ' CB ' ' CD ' ' A' ' 26' ' ' PRO . . . -165.79 175.29 2.43 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.462 ' CD ' ' CB ' ' A' ' 25' ' ' ALA . 11.7 Cg_exo -72.83 -172.28 0.93 Allowed 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 124.307 3.338 . . . . 0.0 109.593 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.495 ' O ' ' CG1' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -146.6 18.51 1.32 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.434 1.084 . . . . 0.0 110.009 -179.916 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.495 ' CG1' ' O ' ' A' ' 27' ' ' SER . 47.4 pt 48.1 32.52 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 67.6 m -136.04 9.74 3.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.402 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -114.66 -35.01 5.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.9 53.54 3.73 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.5 1.125 . . . . 0.0 111.043 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.447 ' HG2' ' CZ ' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -134.65 -65.58 0.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 0.733 . . . . 0.0 109.322 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.405 ' O ' ' N ' ' A' ' 37' ' ' ARG . 60.1 mt -67.81 -44.36 85.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -54.4 -22.62 12.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.994 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.577 ' CD1' ' CB ' ' A' ' 49' ' ' CYS . 88.1 t80 -108.02 6.15 26.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.414 ' OD1' ' O ' ' A' ' 35' ' ' PHE . 83.5 m-20 -142.35 25.28 1.89 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 39' ' ' PHE . 15.5 ttp85 -103.83 94.46 5.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.342 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.414 ' CG ' ' HG2' ' A' ' 46' ' ' GLU . 21.2 ttmm -47.82 94.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.567 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 32.1 p90 -103.38 160.78 14.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.13 133.68 51.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.345 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 46.9 p -78.58 153.92 78.67 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 110.365 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.452 ' CG ' ' HA2' ' A' ' 101' ' ' GLY . 73.2 Cg_endo -66.28 -5.21 12.03 Favored 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 124.327 3.351 . . . . 0.0 109.576 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.8 p -101.21 12.66 37.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.996 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.87 77.03 0.42 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.0 tttm -176.19 135.78 0.27 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 0.755 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.414 ' HG2' ' CG ' ' A' ' 38' ' ' LYS . 3.5 tt0 -90.59 125.14 35.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 110.345 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.78 177.88 7.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.567 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -159.85 152.03 20.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.577 ' CB ' ' CD1' ' A' ' 35' ' ' PHE . 55.9 m -64.38 -11.98 38.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 108.258 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.442 ' CB ' ' HA ' ' A' ' 55' ' ' ASN . . . -104.39 7.45 35.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.472 ' OG ' ' CMC' ' A' ' 125' ' ' HEC . 95.5 p -78.19 -31.43 49.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.003 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 64.1 m -116.91 -45.34 2.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 108.347 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.526 ' O ' ' OG1' ' A' ' 54' ' ' THR . 72.7 m-70 -84.71 13.46 5.73 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 114.955 -1.021 . . . . 0.0 109.75 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.526 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 60.7 p 50.71 170.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 110.383 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.442 ' HA ' ' CB ' ' A' ' 50' ' ' ALA . 9.4 p30 -53.32 -24.58 12.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.254 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 14.0 t30 -130.7 124.23 20.72 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.438 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 58.4 Cg_endo -70.38 -37.94 7.06 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.327 3.351 . . . . 0.0 109.551 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.84 -14.11 19.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -91.04 173.08 8.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 109.359 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 53.4 t -76.6 123.58 33.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 70' ' ' ILE . . . -95.01 -175.94 37.93 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.495 1.122 . . . . 0.0 111.026 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.4 tttm -159.94 134.62 7.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 0.755 . . . . 0.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.425 ' ND2' ' CD1' ' A' ' 70' ' ' ILE . 87.5 m-20 -84.32 130.84 34.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.346 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 6.4 pt -85.97 8.69 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.335 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 53.8 t -90.75 -53.68 8.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 75.2 p -108.9 -34.25 6.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.394 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 81.94 33.83 25.86 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.503 1.127 . . . . 0.0 110.968 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.41 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 1.5 mmmt -79.13 -94.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.41 ' HB3' ' O ' ' A' ' 68' ' ' LYS . 9.6 pt-20 -179.59 124.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.259 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.435 ' O ' ' N ' ' A' ' 61' ' ' GLY . 2.5 mm -113.58 94.63 33.19 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -47.4 166.16 0.1 Allowed 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.337 3.358 . . . . 0.0 109.584 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_exo -37.51 135.4 0.47 Allowed 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.338 3.359 . . . . 0.0 109.545 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 75' ' ' PRO . 5.0 tp -97.32 -24.87 15.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.341 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 76' ' ' ARG . . . -38.45 98.85 0.18 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.591 ' HB3' ' CD1' ' A' ' 82' ' ' PHE . 19.1 Cg_exo -65.78 55.01 0.34 Allowed 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.3 3.333 . . . . 0.0 109.611 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.465 ' CZ ' HG12 ' A' ' 2' ' ' VAL . 10.1 ttm180 -166.25 -52.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.0 t -45.38 -41.98 3.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.471 ' N ' ' OD1' ' A' ' 78' ' ' ASN . 0.3 OUTLIER -96.17 153.69 17.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.6 p -82.61 -41.25 19.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.406 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.36 51.28 1.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 53.5 mmt-85 -147.6 135.77 21.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.326 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.591 ' CD1' ' HB3' ' A' ' 75' ' ' PRO . 0.5 OUTLIER 58.6 59.28 2.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 111.018 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 59.0 m -103.76 -61.53 1.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.375 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -87.6 111.8 21.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.465 ' CG1' ' HB3' ' A' ' 4' ' ' ASN . 81.3 mt -68.45 -46.82 79.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 85' ' ' ILE . 22.9 t70 -40.27 -59.93 1.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -88.55 83.49 6.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER 175.92 -33.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.25 -53.23 20.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.357 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.451 ' OD1' ' NZ ' ' A' ' 94' ' ' LYS . 27.1 t70 -66.19 -46.22 78.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.422 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 3.6 mm-40 -55.65 -18.21 7.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.316 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.71 ' CZ ' ' CMA' ' A' ' 125' ' ' HEC . 0.1 OUTLIER -84.35 -30.47 25.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 111.0 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.1 m -85.7 -35.51 20.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.424 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.451 ' NZ ' ' OD1' ' A' ' 90' ' ' ASP . 5.7 mmtm -69.14 -30.07 68.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.557 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.4 t60 -67.11 -59.43 3.46 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 115.079 -0.964 . . . . 0.0 109.755 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . 0.438 ' C ' ' O ' ' A' ' 102' ' ' ALA . 16.1 m -54.91 -25.81 31.74 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.559 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.445 ' HA ' ' N ' ' A' ' 102' ' ' ALA . 1.8 m-20 -79.85 -12.73 59.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -116.53 2.61 13.09 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.475 1.11 . . . . 0.0 109.313 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.557 HG13 ' CE1' ' A' ' 95' ' ' HIS . 14.5 mm -117.74 -51.66 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.424 1.078 . . . . 0.0 109.342 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 70.3 mt -99.45 -20.12 16.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.452 ' HA2' ' CG ' ' A' ' 42' ' ' PRO . . . 94.73 12.71 55.3 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.509 1.13 . . . . 0.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.445 ' N ' ' HA ' ' A' ' 97' ' ' ASN . . . -163.23 -175.54 4.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 0.736 . . . . 0.0 109.255 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -89.33 127.03 35.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 44.5 m -62.73 160.63 13.93 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.563 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.471 ' HB3' ' CG ' ' A' ' 108' ' ' GLU . 27.6 t -68.84 142.87 94.09 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.056 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -60.32 -17.52 47.43 Favored 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.313 3.342 . . . . 0.0 109.604 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 61.5 p -91.24 -43.46 9.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.009 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.471 ' CG ' ' HB3' ' A' ' 105' ' ' SER . 11.7 mm-40 -59.54 -15.1 15.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.551 ' HD2' ' CG ' ' A' ' 92' ' ' PHE . 2.7 tppt? -82.87 -71.04 0.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.335 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -40.64 -29.49 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.435 ' N ' ' C ' ' A' ' 109' ' ' LYS . 4.6 t-20 -68.29 -66.51 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.631 ' CE2' ' CD1' ' A' ' 116' ' ' LEU . 39.9 t80 -46.34 -45.28 17.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 111.052 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.459 ' CD1' ' HG3' ' A' ' 109' ' ' LYS . 2.0 mt -54.77 -33.8 28.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.255 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 117' ' ' LEU . . . -71.69 -70.06 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.447 ' CZ ' ' HG2' ' A' ' 32' ' ' LYS . 0.2 OUTLIER -41.27 -29.36 0.13 Allowed 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.034 -0.984 . . . . 0.0 109.844 -179.893 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.631 ' CD1' ' CE2' ' A' ' 112' ' ' PHE . 17.1 mt -77.69 -47.06 20.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.468 ' O ' ' CD1' ' A' ' 117' ' ' LEU . 1.0 OUTLIER -91.49 30.55 1.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 5.7 m -104.73 -54.97 2.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.407 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -131.89 124.65 29.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 20.7 p -104.61 48.96 0.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.357 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -131.33 148.71 71.21 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.279 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -78.82 166.99 22.87 Favored 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.286 3.324 . . . . 0.0 109.617 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 3.4 m -78.37 -60.34 2.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.43 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' HEC . . . . . 0.71 ' CMA' ' CZ ' ' A' ' 92' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.1 t70 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 56.1 t -52.37 -24.41 5.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.358 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.5 m -49.53 -24.89 2.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.363 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.496 ' N ' ' ND2' ' A' ' 4' ' ' ASN . 0.3 OUTLIER -82.15 -47.92 11.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.463 ' CB ' HD22 ' A' ' 117' ' ' LEU . . . -56.76 -51.9 67.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 7' ' ' LYS . 12.4 pt-20 -52.32 -36.42 53.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.259 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 11' ' ' LYS . 3.9 tptt -63.96 -55.63 21.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.8 mt -48.02 -39.32 19.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.445 ' O ' ' CB ' ' A' ' 13' ' ' THR . 88.3 t -65.57 -53.18 42.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -73.06 -0.74 14.8 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.807 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 7' ' ' LYS . 1.8 tptp -103.12 -72.07 0.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.443 ' OH ' ' CG ' ' A' ' 89' ' ' GLU . 62.3 m-85 -51.75 -21.66 2.95 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 114.988 -1.006 . . . . 0.0 109.863 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.445 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 52.9 m -79.27 -53.86 6.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.401 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.423 ' O ' ' N ' ' A' ' 18' ' ' SER . 3.5 t30 -55.63 -54.79 39.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.8 mt -50.1 -49.53 21.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.34 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.25 -43.33 96.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.457 ' ND1' ' O ' ' A' ' 23' ' ' TYR . 70.0 t60 -66.98 -29.09 68.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.597 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 14' ' ' ASN . 46.7 t -72.87 -20.06 61.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 110.032 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -99.06 -28.94 13.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.416 ' ND2' ' HG2' ' A' ' 22' ' ' MET . 0.1 OUTLIER -141.18 113.78 6.86 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.158 . . . . 0.0 109.283 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -78.61 42.92 1.34 Allowed 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.299 3.332 . . . . 0.0 109.59 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.416 ' HG2' ' ND2' ' A' ' 20' ' ' ASN . 17.3 ptt? -146.69 34.15 0.94 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.457 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 69.5 t80 -151.81 114.19 4.55 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.833 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -95.29 -47.36 6.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.322 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.482 ' CB ' ' CD ' ' A' ' 26' ' ' PRO . . . -165.26 176.48 2.01 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.482 ' CD ' ' CB ' ' A' ' 25' ' ' ALA . 27.6 Cg_exo -67.19 164.54 29.9 Favored 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 124.335 3.356 . . . . 0.0 109.619 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.68 12.02 9.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.027 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 41.1 pt 44.09 49.74 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.481 ' CG2' ' O ' ' A' ' 29' ' ' THR . 3.4 m -162.29 38.72 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 110.435 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 33' ' ' ILE . 0.6 OUTLIER -148.22 -45.6 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -47.72 -24.53 2.94 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.496 1.122 . . . . 0.0 111.034 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.526 ' HB3' ' CZ ' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -72.85 -35.49 67.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 0.777 . . . . 0.0 109.284 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.45 ' N ' ' O ' ' A' ' 30' ' ' ASP . 13.2 mt -85.61 3.96 3.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.09 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.54 ' CG ' ' O ' ' A' ' 34' ' ' PHE . 60.7 t80 -124.42 30.0 6.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.95 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.586 ' CD1' ' HB2' ' A' ' 49' ' ' CYS . 42.4 t80 -145.25 -41.67 0.23 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.148 . . . . 0.0 111.006 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -100.42 6.85 44.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 -79.95 88.02 5.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 110.313 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.5 ttpp -48.37 101.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.473 ' CE1' HD22 ' A' ' 100' ' ' LEU . 35.7 p90 -108.76 162.13 14.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.79 134.96 51.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 12.8 p -85.4 153.45 58.98 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.386 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.475 ' CG ' ' HA2' ' A' ' 101' ' ' GLY . 59.5 Cg_endo -64.11 -9.04 17.97 Favored 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.296 3.33 . . . . 0.0 109.606 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.1 p -85.87 -6.87 59.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.969 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 84.49 67.07 1.44 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -171.83 138.9 1.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 0.737 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -89.16 123.23 33.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 110.273 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -133.83 -178.44 5.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.271 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.466 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -162.77 152.17 15.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.586 ' HB2' ' CD1' ' A' ' 35' ' ' PHE . 61.9 m -64.77 -13.54 55.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 108.327 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.408 ' HA ' ' O ' ' A' ' 54' ' ' THR . . . -101.37 4.19 41.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.474 ' OG ' ' CMC' ' A' ' 125' ' ' HEC . 90.6 p -75.18 -27.08 59.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 110.008 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 80.5 m -121.83 -47.16 2.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 108.291 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.53 ' HB2' ' O ' ' A' ' 49' ' ' CYS . 90.3 m-70 -82.88 14.12 3.47 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.012 -0.994 . . . . 0.0 109.779 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.523 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 44.9 p 50.81 171.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.139 . . . . 0.0 110.387 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.406 ' HA ' ' CB ' ' A' ' 50' ' ' ALA . 10.9 p30 -54.01 -22.04 9.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -134.85 125.53 17.35 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.449 ' HG3' ' CD2' ' A' ' 116' ' ' LEU . 60.4 Cg_endo -70.72 -42.52 2.36 Favored 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.301 3.334 . . . . 0.0 109.603 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.405 ' HA ' ' CB ' ' A' ' 74' ' ' ALA . . . -55.64 -16.95 4.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -90.68 171.26 9.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 70.1 t -73.58 130.38 35.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 70' ' ' ILE . . . -100.78 -174.48 29.39 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.499 1.124 . . . . 0.0 111.013 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.1 tttt -159.61 134.77 8.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 0.755 . . . . 0.0 109.272 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.435 ' ND2' HD12 ' A' ' 70' ' ' ILE . 84.1 m-20 -85.28 128.32 34.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 7.3 pt -84.35 7.22 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.344 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 71.0 t -88.67 -54.44 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 62.5 p -109.17 -33.77 6.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.155 . . . . 0.0 110.442 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 80.97 34.71 26.36 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.467 1.105 . . . . 0.0 111.045 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.435 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 1.0 OUTLIER -77.72 -94.17 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 0.764 . . . . 0.0 109.328 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.435 ' HB3' ' O ' ' A' ' 68' ' ' LYS . 14.1 pt-20 179.25 120.57 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.322 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.435 HD12 ' ND2' ' A' ' 63' ' ' ASN . 2.7 mm -109.93 126.65 28.59 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.46 ' CB ' ' HD2' ' A' ' 72' ' ' PRO . 58.3 Cg_endo -71.0 170.25 18.52 Favored 'Trans proline' 0 N--CA 1.448 -1.184 0 C-N-CA 124.347 3.365 . . . . 0.0 109.578 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.46 ' HD2' ' CB ' ' A' ' 71' ' ' PRO . 13.0 Cg_endo -51.99 135.85 51.84 Favored 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.322 3.348 . . . . 0.0 109.599 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 75' ' ' PRO . 1.3 tp -91.4 -20.15 22.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 73' ' ' LEU . . . -36.58 96.83 0.11 Allowed Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.519 ' HB3' ' CG ' ' A' ' 82' ' ' PHE . 15.5 Cg_exo -68.05 54.89 0.7 Allowed 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 124.353 3.368 . . . . 0.0 109.582 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.1 ttt-85 -171.29 -50.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.297 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 33.6 t -45.93 -41.29 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.452 ' N ' ' OD1' ' A' ' 78' ' ' ASN . 0.4 OUTLIER -111.63 157.54 20.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.348 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.3 t -94.95 3.75 54.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.408 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -104.96 28.33 7.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.412 ' NH2' ' HG2' ' A' ' 71' ' ' PRO . 23.3 mmt-85 -127.6 147.82 50.35 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 110.287 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.519 ' CG ' ' HB3' ' A' ' 75' ' ' PRO . 3.3 m-30 57.08 46.02 19.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 60.1 m -76.05 -64.46 1.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 110.429 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -83.54 97.21 8.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.4 tt -75.57 -2.43 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.249 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -94.39 -24.1 17.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 90' ' ' ASP . 15.7 mttt -101.04 -53.75 2.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -43.16 -28.33 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.443 ' CG ' ' OH ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -79.4 -44.85 20.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.267 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 87' ' ' LYS . 43.2 m-20 -67.15 -45.56 76.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.247 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -59.3 -46.84 87.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.725 ' CZ ' ' CMA' ' A' ' 125' ' ' HEC . 0.1 OUTLIER -47.73 -27.4 1.96 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 110.993 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.2 m -88.33 -49.0 7.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.375 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.44 -21.93 64.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.44 ' O ' ' N ' ' A' ' 99' ' ' ILE . 1.3 t60 -73.61 -58.13 3.52 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.749 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . 0.421 ' C ' ' O ' ' A' ' 102' ' ' ALA . 15.1 m -58.43 -26.8 63.71 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.571 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -79.14 -13.55 59.66 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.64 5.19 10.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.44 ' N ' ' O ' ' A' ' 95' ' ' HIS . 5.5 mm -120.33 -46.55 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.473 HD22 ' CE1' ' A' ' 39' ' ' PHE . 39.9 mt -104.14 -24.6 13.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.475 ' HA2' ' CG ' ' A' ' 42' ' ' PRO . . . 98.25 16.37 32.66 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.521 1.138 . . . . 0.0 110.987 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 96' ' ' CYS . . . -164.35 -176.55 4.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 0.788 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -94.51 119.94 33.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 35.2 m -58.55 161.16 4.78 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.62 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.463 ' OG ' ' CG ' ' A' ' 108' ' ' GLU . 54.0 p -81.49 145.64 55.56 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.993 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -59.56 -14.55 26.34 Favored 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 124.3 3.333 . . . . 0.0 109.593 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 60.1 p -86.46 -44.76 11.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.424 1.078 . . . . 0.0 110.005 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.463 ' CG ' ' OG ' ' A' ' 105' ' ' SER . 2.1 mm-40 -66.47 -8.19 24.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.319 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.567 ' HD2' ' CD2' ' A' ' 92' ' ' PHE . 1.5 tppt? -86.02 -63.93 1.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.88 -16.49 17.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -78.85 -36.46 42.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.616 ' CE2' ' CD1' ' A' ' 116' ' ' LEU . 73.4 t80 -79.99 -46.09 17.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.449 ' CD1' ' HG3' ' A' ' 109' ' ' LYS . 1.9 mt -50.98 -42.62 24.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.97 -69.34 0.25 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.26 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.526 ' CZ ' ' HB3' ' A' ' 32' ' ' LYS . 0.9 OUTLIER -39.9 -39.48 0.84 Allowed 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.795 -179.913 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.616 ' CD1' ' CE2' ' A' ' 112' ' ' PHE . 11.6 mt -68.62 -62.84 1.21 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.463 HD22 ' CB ' ' A' ' 5' ' ' ALA . 16.7 mt -39.38 -44.93 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 8.7 t -77.66 -37.88 48.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.449 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.491 ' HG3' ' CD2' ' A' ' 115' ' ' TYR . 1.6 mm-40 -86.6 91.08 8.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 4.9 p -141.74 48.02 1.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 110.424 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 6.7 mttm -132.31 100.88 15.06 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -56.19 161.82 8.43 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.299 3.333 . . . . 0.0 109.585 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 53.5 m -86.28 -59.0 2.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.436 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' HEC . . . . . 0.725 ' CMA' ' CZ ' ' A' ' 92' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 53.8 t -84.33 13.42 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 4' ' ' ASN . 76.5 m -93.75 -72.34 0.61 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 110.385 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.542 ' ND2' ' H ' ' A' ' 4' ' ' ASN . 0.0 OUTLIER -39.37 -54.88 1.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -41.87 -50.04 4.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.571 1.169 . . . . 0.0 109.302 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 3' ' ' THR . 10.4 tp10 -55.07 -47.71 74.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.319 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.452 ' C ' ' CD ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -58.71 -48.53 80.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.0 mt -51.52 -51.29 56.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.461 ' O ' ' CB ' ' A' ' 13' ' ' THR . 81.3 t -56.94 -52.18 58.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -66.73 -7.6 22.17 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.025 -0.988 . . . . 0.0 109.789 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.1 tptm -99.58 -74.75 0.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.097 . . . . 0.0 109.276 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -46.21 -25.41 0.6 Allowed 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 114.959 -1.019 . . . . 0.0 109.846 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.461 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 25.1 m -72.72 -46.51 53.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.381 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.445 ' O ' ' N ' ' A' ' 17' ' ' HIS . 2.3 t-20 -62.09 -60.92 2.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.4 mt -43.75 -47.49 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.85 -39.86 90.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.341 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.445 ' N ' ' O ' ' A' ' 14' ' ' ASN . 12.9 t60 -69.9 -30.56 68.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.612 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 29.7 t -64.93 -10.86 32.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.046 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -110.43 -44.93 3.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.437 ' ND2' ' HD2' ' A' ' 21' ' ' PRO . 13.2 t-20 -119.84 121.68 29.58 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.437 ' HD2' ' ND2' ' A' ' 20' ' ' ASN . 88.1 Cg_endo -82.86 35.65 0.58 Allowed 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.331 3.354 . . . . 0.0 109.607 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 3.7 mtt -143.24 36.99 1.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.984 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.441 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 12.7 t80 -138.8 113.34 8.96 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.829 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -100.21 -48.65 4.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.288 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -158.16 152.37 20.13 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -59.65 -161.76 0.02 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.188 0 C-N-CA 124.321 3.347 . . . . 0.0 109.572 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 29.4 t -150.63 164.21 36.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.424 1.078 . . . . 0.0 109.982 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.425 ' CG2' HG22 ' A' ' 118' ' ' THR . 5.8 pt -117.55 43.47 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.09 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 51.5 m -154.86 35.51 0.4 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 110.411 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -154.83 -44.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.454 ' N ' HD22 ' A' ' 111' ' ' ASN . . . -41.85 -27.27 0.35 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.446 1.091 . . . . 0.0 110.971 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.515 ' HB3' ' CZ ' ' A' ' 115' ' ' TYR . 26.2 pttt -69.92 -46.46 65.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 0.802 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.483 ' N ' ' O ' ' A' ' 30' ' ' ASP . 19.7 mt -58.86 -55.15 25.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -56.63 -18.71 13.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.564 ' CE2' ' HD3' ' A' ' 57' ' ' PRO . 84.9 t80 -108.86 4.99 24.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.956 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.411 ' OD1' ' O ' ' A' ' 35' ' ' PHE . 85.7 m-20 -142.52 27.43 1.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.471 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -104.56 88.97 3.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -43.61 95.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.253 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.566 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 30.6 p90 -106.62 161.14 14.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 111.016 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.26 135.06 46.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 69.3 p -79.15 154.64 77.34 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 110.427 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.502 ' CG ' ' HA2' ' A' ' 101' ' ' GLY . 60.7 Cg_endo -64.83 -6.2 12.09 Favored 'Trans proline' 0 N--CA 1.447 -1.251 0 C-N-CA 124.348 3.365 . . . . 0.0 109.587 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.2 p -107.94 31.92 5.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.029 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 49.78 83.81 0.03 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.529 1.143 . . . . 0.0 111.015 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 178.72 124.59 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 0.762 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -79.99 125.31 29.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 0.0 110.322 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.39 177.93 7.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.566 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -159.11 153.87 24.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.466 ' O ' ' HB2' ' A' ' 53' ' ' HIS . 61.7 m -65.69 -12.34 52.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 108.279 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.433 ' O ' ' HA ' ' A' ' 54' ' ' THR . . . -103.68 5.93 36.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.483 ' OG ' ' CMC' ' A' ' 125' ' ' HEC . 90.5 p -73.58 -31.86 63.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.034 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 61.2 m -116.06 -42.78 3.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 108.307 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.5 ' O ' ' OG1' ' A' ' 54' ' ' THR . 69.0 m-70 -86.54 15.73 5.27 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.733 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.5 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 61.3 p 49.77 173.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 110.399 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.402 ' HA ' ' CB ' ' A' ' 50' ' ' ALA . 7.4 p30 -56.48 -25.95 52.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.461 ' ND2' ' H ' ' A' ' 124' ' ' LYS . 15.1 t30 -127.32 124.63 23.75 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.564 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 65.0 Cg_endo -70.64 -39.46 4.79 Favored 'Trans proline' 0 N--CA 1.447 -1.209 0 C-N-CA 124.338 3.359 . . . . 0.0 109.632 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.34 -16.05 12.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -89.12 175.31 7.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.26 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 40.4 t -78.98 117.09 23.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.248 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -77.21 -169.49 31.96 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.528 1.143 . . . . 0.0 110.996 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -170.24 122.23 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 0.749 . . . . 0.0 109.257 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.423 ' ND2' HD12 ' A' ' 70' ' ' ILE . 90.9 m-20 -77.72 134.89 38.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 7.0 pt -84.33 8.15 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 67.8 t -87.28 -54.57 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.256 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 71.9 p -106.86 -34.42 7.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.382 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 88.36 47.48 4.33 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.128 . . . . 0.0 110.99 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.65 -166.35 1.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.57 0.806 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -112.83 101.19 9.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.316 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.423 HD12 ' ND2' ' A' ' 63' ' ' ASN . 2.8 mm -82.35 118.07 70.64 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -46.65 163.77 0.11 Allowed 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.306 3.338 . . . . 0.0 109.621 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -48.44 132.32 24.42 Favored 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.343 3.362 . . . . 0.0 109.569 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.49 HD12 ' CE1' ' A' ' 53' ' ' HIS . 5.5 tp -84.76 -31.14 24.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.454 ' CB ' ' HB ' ' A' ' 77' ' ' VAL . . . -39.61 100.3 0.21 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.265 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.572 ' HB3' ' CD1' ' A' ' 82' ' ' PHE . 48.0 Cg_exo -59.37 -13.04 18.68 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.341 3.361 . . . . 0.0 109.557 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.6 ttp85 -100.84 -53.55 3.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 110.273 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.454 ' HB ' ' CB ' ' A' ' 74' ' ' ALA . 40.3 t -54.86 -40.25 51.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.43 ' ND2' ' HG2' ' A' ' 81' ' ' ARG . 40.1 t-20 -95.05 104.46 16.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 43.4 p -59.19 -19.11 42.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.418 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.413 ' O ' ' NH1' ' A' ' 81' ' ' ARG . 6.6 mmtp -88.28 43.19 1.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.084 . . . . 0.0 109.277 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.485 ' CB ' ' HA ' ' A' ' 75' ' ' PRO . 86.7 mmt-85 -147.24 171.99 14.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 110.311 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.572 ' CD1' ' HB3' ' A' ' 75' ' ' PRO . 3.8 m-30 36.05 66.07 0.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 86.5 m -96.46 -60.4 1.62 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 110.384 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -112.04 100.76 9.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.473 ' CD1' ' HB3' ' A' ' 4' ' ' ASN . 55.6 mt -40.16 -43.67 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 85' ' ' ILE . 29.9 t0 -40.41 -58.67 1.49 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.86 79.57 6.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.262 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER 174.54 -34.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -71.15 -53.96 12.69 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.548 1.155 . . . . 0.0 110.3 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -65.06 -49.47 69.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 109.327 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -47.57 -38.71 14.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 110.277 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.577 ' CZ ' ' CMA' ' A' ' 125' ' ' HEC . 0.1 OUTLIER -62.86 -27.04 69.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 111.003 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -88.34 -36.67 16.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.373 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.0 mmmt -72.07 -29.69 64.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.422 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.4 t60 -67.46 -60.6 2.43 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.78 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . 0.45 ' C ' ' O ' ' A' ' 102' ' ' ALA . 1.8 m -54.78 -25.11 25.82 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.567 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.457 ' HA ' ' N ' ' A' ' 102' ' ' ALA . 1.9 m-20 -78.84 -15.8 57.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -111.53 -4.53 14.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.422 HG13 ' CE1' ' A' ' 95' ' ' HIS . 48.9 mm -111.06 -57.33 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.412 HD22 ' CE1' ' A' ' 39' ' ' PHE . 47.0 mt -91.33 -15.86 28.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.502 ' HA2' ' CG ' ' A' ' 42' ' ' PRO . . . 87.64 13.7 64.64 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.516 1.135 . . . . 0.0 111.039 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.457 ' N ' ' HA ' ' A' ' 97' ' ' ASN . . . -161.2 -169.98 2.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 0.759 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -96.9 121.39 38.72 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 45.2 m -61.39 161.5 9.21 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.04 -0.982 . . . . 0.0 109.554 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.5 m -74.57 143.35 78.88 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.135 . . . . 0.0 109.951 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -61.52 -20.69 69.6 Favored 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.333 3.356 . . . . 0.0 109.603 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 53.0 p -82.52 -34.65 27.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.027 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -75.5 -14.45 60.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.342 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.568 ' HD2' ' CD1' ' A' ' 92' ' ' PHE . 0.6 OUTLIER -78.3 -59.64 2.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.04 -24.67 63.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.454 HD22 ' N ' ' A' ' 31' ' ' GLY . 0.8 OUTLIER -69.0 -39.84 79.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.31 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.676 ' CE2' ' CD1' ' A' ' 116' ' ' LEU . 39.5 t80 -76.5 -45.98 28.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 111.049 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.403 HG21 ' CG2' ' A' ' 9' ' ' VAL . 1.9 mt -52.55 -38.58 26.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.36 -60.44 2.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.515 ' CZ ' ' HB3' ' A' ' 32' ' ' LYS . 1.3 t80 -53.14 -35.2 59.47 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.851 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.676 ' CD1' ' CE2' ' A' ' 112' ' ' PHE . 7.2 mt -70.37 -41.63 72.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.421 1.076 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.496 ' O ' ' CD1' ' A' ' 117' ' ' LEU . 1.2 pp -92.34 28.25 2.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.143 . . . . 0.0 109.332 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.425 HG22 ' CG2' ' A' ' 28' ' ' ILE . 1.9 m -115.13 -63.87 1.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.353 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -61.88 110.47 1.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 42.9 p -107.8 54.26 0.67 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 110.386 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.897 ' HD2' ' OXT' ' A' ' 124' ' ' LYS . 0.0 OUTLIER -176.37 145.54 0.71 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -82.27 168.01 15.26 Favored 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.338 3.359 . . . . 0.0 109.562 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 34.1 m 64.01 54.73 1.65 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 110.397 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.897 ' OXT' ' HD2' ' A' ' 121' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.235 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' HEC . . . . . 0.577 ' CMA' ' CZ ' ' A' ' 92' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 54.0 t -58.18 -48.28 85.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.3 m -38.43 -41.61 0.66 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 110.425 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.475 ' N ' ' ND2' ' A' ' 4' ' ' ASN . 0.3 OUTLIER -79.66 -49.09 12.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.241 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.44 -47.79 62.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -52.86 -49.45 65.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.572 1.17 . . . . 0.0 110.307 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.436 ' C ' ' CD ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -53.14 -52.93 57.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.42 ' N ' ' HD2' ' A' ' 7' ' ' LYS . 10.9 mt -51.39 -53.04 40.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.266 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.494 ' CG2' HG23 ' A' ' 113' ' ' ILE . 91.7 t -59.91 -36.5 67.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -80.27 6.95 10.53 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.851 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.8 mmtm -119.83 -74.05 0.62 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 109.326 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -45.88 -24.06 0.35 Allowed 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.799 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.431 ' CG2' ' O ' ' A' ' 24' ' ' GLU . 51.8 m -75.5 -53.36 8.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 110.421 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -55.87 -53.61 54.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.8 mt -50.4 -48.2 25.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.72 -45.39 94.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.338 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.45 ' ND1' ' O ' ' A' ' 23' ' ' TYR . 72.7 t60 -64.45 -30.21 71.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.584 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.5 t -71.68 -18.22 62.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.992 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -102.35 -21.48 14.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.441 ' O ' ' HA ' ' A' ' 17' ' ' HIS . 11.3 t-20 -146.77 119.37 4.9 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.418 ' HD2' ' ND2' ' A' ' 20' ' ' ASN . 91.0 Cg_endo -83.18 31.82 0.52 Allowed 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.338 3.358 . . . . 0.0 109.586 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.6 mtp -138.9 30.52 2.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 110.98 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.45 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 82.4 t80 -147.86 112.4 5.32 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.058 -0.973 . . . . 0.0 109.796 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.431 ' O ' ' CG2' ' A' ' 13' ' ' THR . 3.2 mm-40 -94.89 -48.61 5.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 110.322 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.456 ' CB ' ' CD ' ' A' ' 26' ' ' PRO . . . -160.72 175.6 3.03 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.456 ' CD ' ' CB ' ' A' ' 25' ' ' ALA . 16.6 Cg_exo -70.57 -178.55 2.71 Favored 'Trans proline' 0 N--CA 1.448 -1.198 0 C-N-CA 124.362 3.375 . . . . 0.0 109.537 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.485 ' C ' HG13 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -136.96 25.15 3.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 0.0 110.012 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.525 ' O ' ' CD1' ' A' ' 28' ' ' ILE . 2.7 pp 35.26 36.28 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.457 ' N ' ' O ' ' A' ' 27' ' ' SER . 35.5 m -126.64 -59.06 1.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.394 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.27 -16.65 14.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.573 ' HA2' ' CD2' ' A' ' 115' ' ' TYR . . . -70.03 63.88 0.72 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.471 1.107 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.21 -47.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 0.759 . . . . 0.0 109.293 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 89.7 mt -62.13 -41.38 91.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -76.5 -9.75 58.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 0.0 110.966 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.57 ' CD1' ' HB2' ' A' ' 49' ' ' CYS . 82.5 t80 -111.71 9.18 20.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 111.028 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -145.9 26.92 1.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.485 ' O ' ' N ' ' A' ' 39' ' ' PHE . 4.1 tpm_? -100.88 93.07 5.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.294 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -46.68 93.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.603 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 24.0 p90 -107.62 156.41 19.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -105.01 139.16 40.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.408 ' HB ' ' HD2' ' A' ' 42' ' ' PRO . 52.4 p -83.12 154.86 67.26 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.395 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.481 ' CG ' ' HA2' ' A' ' 101' ' ' GLY . 56.9 Cg_endo -62.85 -7.85 12.28 Favored 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.36 3.373 . . . . 0.0 109.595 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.5 p -103.83 32.67 3.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 109.961 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 48.71 80.14 0.06 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.122 . . . . 0.0 110.995 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 24.0 ttpt -175.03 135.23 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 0.789 . . . . 0.0 109.28 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -93.43 123.25 36.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -136.33 -169.44 2.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.603 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -175.1 154.15 1.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.27 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.57 ' HB2' ' CD1' ' A' ' 35' ' ' PHE . 21.4 m -70.11 -8.02 46.21 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 108.321 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.437 ' O ' ' HA ' ' A' ' 54' ' ' THR . . . -107.29 5.67 27.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.252 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.51 -20.29 28.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.972 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 63.9 m -122.31 -44.71 2.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 108.326 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.523 ' O ' ' OG1' ' A' ' 54' ' ' THR . 65.2 m-70 -93.35 16.51 13.17 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 114.961 -1.018 . . . . 0.0 109.791 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.523 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 58.0 p 50.63 169.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 110.366 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.424 ' HA ' ' CB ' ' A' ' 50' ' ' ALA . 9.9 p30 -53.07 -25.8 13.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 15.9 t30 -128.71 124.78 22.79 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.525 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 74.2 Cg_endo -71.31 -37.32 5.91 Favored 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.292 3.328 . . . . 0.0 109.614 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.76 -13.87 17.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 0.0 109.235 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -92.65 173.73 7.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 87.1 t -75.32 127.61 36.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -99.74 -177.67 30.93 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.545 1.153 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -161.63 135.86 6.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 0.789 . . . . 0.0 109.322 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.447 ' ND2' ' CD1' ' A' ' 70' ' ' ILE . 92.9 m-20 -85.7 127.45 34.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.8 pt -83.11 5.83 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 74.5 t -86.78 -53.78 9.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.244 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 77.1 p -109.13 -34.02 6.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.392 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 81.59 35.29 23.01 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.55 1.156 . . . . 0.0 111.001 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 32.8 mmtt -80.27 -94.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 0.752 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -179.39 123.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.447 ' CD1' ' ND2' ' A' ' 63' ' ' ASN . 2.2 mm -114.06 96.01 40.39 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -49.42 167.56 0.16 Allowed 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.321 3.347 . . . . 0.0 109.614 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_exo -37.4 132.32 0.59 Allowed 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 124.338 3.359 . . . . 0.0 109.586 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.424 ' O ' ' C ' ' A' ' 74' ' ' ALA . 3.7 tp -94.2 -30.21 14.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 73' ' ' LEU . . . -38.56 108.53 0.46 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.285 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.536 ' HB2' ' CG ' ' A' ' 82' ' ' PHE . 71.8 Cg_endo -79.25 41.88 1.18 Allowed 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.294 3.33 . . . . 0.0 109.575 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.458 ' NH1' ' CG2' ' A' ' 120' ' ' THR . 0.0 OUTLIER -148.61 -56.44 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.291 -179.904 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 14.1 t -42.79 -42.69 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 109.254 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.485 ' N ' ' OD1' ' A' ' 78' ' ' ASN . 0.2 OUTLIER -100.63 147.83 25.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 25.4 p -90.29 2.62 55.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.404 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.86 47.29 0.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.25 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 59.0 mmt-85 -143.77 158.18 43.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.16 . . . . 0.0 110.32 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.536 ' CG ' ' HB2' ' A' ' 75' ' ' PRO . 1.6 m-30 50.8 34.17 9.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.941 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 34.9 m -91.65 53.42 2.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.147 . . . . 0.0 110.43 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.2 t0 177.93 90.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 2.5 tt -89.45 40.06 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -126.66 -46.82 1.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.408 ' HE3' ' CG ' ' A' ' 91' ' ' GLU . 30.4 tttp -87.35 -34.36 18.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 1.2 t -50.62 -36.92 14.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -77.26 57.46 1.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.275 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.1 t0 175.49 -48.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 6.5 mm-40 -56.25 -19.09 12.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.724 ' CZ ' ' CMA' ' A' ' 125' ' ' HEC . 0.1 OUTLIER -84.02 -24.07 30.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 110.975 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.0 -31.45 18.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 110.406 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 43.4 mmtt -75.98 -30.03 58.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.574 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.3 t60 -67.72 -58.77 4.07 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 115.008 -0.996 . . . . 0.0 109.774 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . 0.424 ' C ' ' O ' ' A' ' 102' ' ' ALA . 8.4 m -57.24 -24.81 57.14 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.561 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.455 ' HA ' ' N ' ' A' ' 102' ' ' ALA . 1.6 m-20 -81.29 -13.0 58.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -115.53 -2.84 12.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.574 HG13 ' CE1' ' A' ' 95' ' ' HIS . 26.8 mm -114.47 -55.13 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.417 HD22 ' CE1' ' A' ' 39' ' ' PHE . 41.5 mt -94.46 -9.56 35.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.481 ' HA2' ' CG ' ' A' ' 42' ' ' PRO . . . 81.11 13.86 80.21 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.55 1.156 . . . . 0.0 110.998 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.455 ' N ' ' HA ' ' A' ' 97' ' ' ASN . . . -167.72 176.81 6.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.448 0.734 . . . . 0.0 109.361 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -79.14 131.62 36.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 35.9 m -71.37 162.06 30.04 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.536 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.5 m -73.66 141.67 79.66 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.974 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_endo -60.3 -17.0 44.29 Favored 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.335 3.357 . . . . 0.0 109.595 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 54.2 p -87.74 -38.03 16.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.947 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -70.63 -5.66 31.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.324 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.566 ' HD2' ' CG ' ' A' ' 92' ' ' PHE . 2.6 tppt? -92.08 -65.77 0.98 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -49.74 -22.66 1.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.267 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.572 HD22 ' N ' ' A' ' 31' ' ' GLY . 0.3 OUTLIER -77.23 -37.25 53.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.567 ' CE2' HD12 ' A' ' 116' ' ' LEU . 47.2 t80 -77.32 -45.71 25.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.494 HG23 ' CG2' ' A' ' 9' ' ' VAL . 1.7 mt -55.76 -39.21 54.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 117' ' ' LEU . . . -63.9 -70.69 0.2 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.142 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.573 ' CD2' ' HA2' ' A' ' 31' ' ' GLY . 1.2 t80 -43.85 -29.45 0.55 Allowed 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 114.966 -1.015 . . . . 0.0 109.831 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.567 HD12 ' CE2' ' A' ' 112' ' ' PHE . 12.0 mt -73.58 -44.85 56.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 114' ' ' ALA . 1.0 OUTLIER -92.16 30.29 1.47 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.3 m -123.51 -63.49 1.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.451 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -54.84 113.4 1.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.458 ' CG2' ' NH1' ' A' ' 76' ' ' ARG . 82.7 p -114.53 54.25 0.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.085 . . . . 0.0 110.423 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.3 ptmt -175.78 137.71 0.51 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.319 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_endo -82.5 166.66 15.64 Favored 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.311 3.34 . . . . 0.0 109.593 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 50.6 m -85.73 -62.61 1.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.414 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.686 ' HG3' ' OXT' ' A' ' 124' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' HEC . . . . . 0.724 ' CMA' ' CZ ' ' A' ' 92' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.519 ' O ' ' CB ' ' A' ' 2' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.519 ' CB ' ' O ' ' A' ' 1' ' ' ASP . 3.0 t 87.05 -41.91 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.1 m -46.75 -26.79 1.01 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.13 . . . . 0.0 110.41 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.513 ' N ' ' ND2' ' A' ' 4' ' ' ASN . 0.1 OUTLIER -84.82 -52.75 5.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -45.28 -47.22 12.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -56.77 -47.56 79.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.0 mmtm -55.86 -53.83 51.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.8 mt -47.76 -49.93 27.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.422 ' CG2' HG23 ' A' ' 113' ' ' ILE . 59.8 t -60.03 -45.03 96.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -67.8 -12.88 61.51 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.843 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.415 ' O ' ' N ' ' A' ' 14' ' ' ASN . 7.3 tptt -95.83 -72.01 0.65 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.563 ' CD1' ' HB3' ' A' ' 109' ' ' LYS . 54.0 m-85 -45.69 -26.36 0.62 Allowed 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.829 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.418 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 22.4 m -74.0 -41.54 61.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 110.359 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.43 ' O ' ' N ' ' A' ' 18' ' ' SER . 16.3 t-20 -65.36 -60.16 3.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.9 mt -44.68 -48.12 2.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.29 -46.65 85.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.479 ' ND1' ' O ' ' A' ' 23' ' ' TYR . 9.4 t60 -65.71 -33.02 74.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 109.611 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 14' ' ' ASN . 44.5 t -67.08 -9.93 44.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.985 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -103.14 -39.8 6.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 109.346 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.411 ' O ' ' OD1' ' A' ' 20' ' ' ASN . 38.4 p-10 -140.77 135.2 15.4 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -85.12 46.02 1.74 Allowed 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.303 3.335 . . . . 0.0 109.64 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 6.7 ptt? -145.41 37.86 1.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 110.966 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.479 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 12.4 t80 -146.57 106.15 3.94 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.802 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -93.2 -49.3 6.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.324 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -152.09 167.59 12.9 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.259 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -87.56 -173.27 1.0 Allowed 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.297 3.332 . . . . 0.0 109.602 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.458 ' OG ' ' N ' ' A' ' 28' ' ' ILE . 18.4 t -140.03 -176.43 4.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.974 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.458 ' N ' ' OG ' ' A' ' 27' ' ' SER . 6.2 pt -125.41 53.53 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.9 m -139.29 -45.23 0.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.387 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -58.55 -34.68 71.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.598 ' O ' ' CE1' ' A' ' 115' ' ' TYR . . . -69.42 69.29 0.52 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.49 1.119 . . . . 0.0 110.968 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.441 ' HG2' ' CE1' ' A' ' 115' ' ' TYR . 4.0 mmtp -165.23 -61.62 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.472 0.748 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 26.2 mt -68.39 -50.36 57.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.607 ' CZ ' ' OE1' ' A' ' 108' ' ' GLU . 14.2 t80 -54.65 -21.19 9.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.976 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.59 ' CD1' ' HB2' ' A' ' 49' ' ' CYS . 86.3 t80 -108.2 5.36 25.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.41 ' OD1' ' O ' ' A' ' 35' ' ' PHE . 85.8 m-20 -142.36 25.59 1.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -103.75 99.26 9.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.289 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -49.72 92.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.585 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 22.5 p90 -105.38 156.43 18.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 111.031 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.03 139.46 39.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.1 p -84.42 154.38 62.62 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.391 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.487 ' CG ' ' HA2' ' A' ' 101' ' ' GLY . 53.8 Cg_endo -62.09 -8.19 11.54 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.286 3.324 . . . . 0.0 109.629 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 p -103.35 34.43 2.93 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.525 1.141 . . . . 0.0 110.018 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 47.08 81.35 0.04 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.477 1.11 . . . . 0.0 110.967 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -176.88 140.69 0.33 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 0.742 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -97.41 124.94 41.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.271 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.47 -175.34 4.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.585 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -167.43 154.63 8.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.59 ' HB2' ' CD1' ' A' ' 35' ' ' PHE . 21.8 m -70.52 -7.84 46.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 108.302 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.436 ' HA ' ' O ' ' A' ' 54' ' ' THR . . . -106.31 4.19 28.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.95 -17.76 36.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.98 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 66.9 m -124.72 -45.57 1.9 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 108.289 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.506 ' O ' ' O ' ' A' ' 54' ' ' THR . 59.3 m-70 -93.26 18.57 9.33 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.752 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.506 ' O ' ' O ' ' A' ' 53' ' ' HIS . 47.9 p 49.28 171.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 110.42 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -52.25 -24.73 7.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.085 . . . . 0.0 109.275 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.467 ' ND2' ' HG1' ' A' ' 123' ' ' THR . 12.1 t30 -130.28 126.88 22.4 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.515 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 74.0 Cg_endo -70.85 -43.96 1.54 Allowed 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.32 3.347 . . . . 0.0 109.61 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.18 -18.42 3.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -87.1 176.45 7.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 74.8 t -78.61 121.7 32.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.16 . . . . 0.0 109.295 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 70' ' ' ILE . . . -86.16 -170.27 46.8 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.528 1.142 . . . . 0.0 110.981 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -165.32 124.1 1.69 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 0.764 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.429 ' ND2' ' CD1' ' A' ' 70' ' ' ILE . 89.8 m-20 -79.42 128.55 33.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.0 pt -83.49 6.1 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 53.2 t -87.87 -54.65 7.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 63.5 p -107.41 -35.29 6.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 110.422 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 80.38 34.28 29.45 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.49 1.119 . . . . 0.0 110.965 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -79.92 -95.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 0.736 . . . . 0.0 109.269 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -178.38 122.19 0.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 110.301 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.439 ' O ' ' N ' ' A' ' 61' ' ' GLY . 2.2 mm -111.2 102.28 52.53 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -50.64 169.99 0.15 Allowed 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.346 3.364 . . . . 0.0 109.579 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -38.5 130.65 1.11 Allowed 'Trans proline' 0 N--CA 1.448 -1.175 0 C-N-CA 124.296 3.33 . . . . 0.0 109.608 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 75' ' ' PRO . 3.3 tp -87.19 -32.03 20.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.339 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 73' ' ' LEU . . . -36.93 97.07 0.12 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.598 ' CB ' ' CD1' ' A' ' 82' ' ' PHE . 24.6 Cg_exo -63.66 -14.27 41.71 Favored 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.323 3.349 . . . . 0.0 109.609 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.54 -44.24 8.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 19.3 t -50.81 -42.66 23.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.239 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.479 ' N ' ' OD1' ' A' ' 78' ' ' ASN . 0.2 OUTLIER -103.2 133.96 47.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.5 t -82.95 -1.91 53.64 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.533 1.145 . . . . 0.0 110.388 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt -102.71 29.97 5.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.485 ' CB ' ' HA ' ' A' ' 75' ' ' PRO . 6.5 mmt180 -125.3 -92.1 0.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.313 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.598 ' CD1' ' CB ' ' A' ' 75' ' ' PRO . 1.5 m-30 -66.64 68.06 0.06 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.429 1.081 . . . . 0.0 110.966 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 81' ' ' ARG . 22.0 m -131.76 41.46 3.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.407 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -175.57 63.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.326 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.478 ' CD1' ' HB3' ' A' ' 4' ' ' ASN . 96.2 mt -41.06 -49.73 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 85' ' ' ILE . 0.3 OUTLIER -39.55 -57.1 1.53 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -101.72 94.06 5.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER 174.16 -34.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.435 1.084 . . . . 0.0 109.277 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.39 -27.44 60.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -83.73 -50.41 8.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 3.7 mm-40 -52.94 -20.46 3.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.26 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.652 ' CZ ' ' CMA' ' A' ' 125' ' ' HEC . 0.1 OUTLIER -79.58 -26.87 41.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.501 ' CG2' ' OD2' ' A' ' 103' ' ' ASP . 1.0 OUTLIER -87.76 -33.66 18.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.375 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -72.57 -34.3 67.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 1.168 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.574 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.2 t60 -63.75 -60.4 3.35 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.746 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . 0.428 ' C ' ' O ' ' A' ' 102' ' ' ALA . 7.6 m -54.52 -26.89 34.45 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.589 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.463 ' HA ' ' N ' ' A' ' 102' ' ' ALA . 1.5 m-20 -77.7 -15.09 59.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -113.16 -0.97 14.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.574 HG13 ' CE1' ' A' ' 95' ' ' HIS . 22.3 mm -113.75 -57.31 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 63.9 mt -92.44 -19.17 22.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.487 ' HA2' ' CG ' ' A' ' 42' ' ' PRO . . . 93.27 13.3 56.2 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.488 1.118 . . . . 0.0 111.017 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.463 ' N ' ' HA ' ' A' ' 97' ' ' ASN . . . -163.15 -173.55 3.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 0.779 . . . . 0.0 109.263 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.501 ' OD2' ' CG2' ' A' ' 93' ' ' THR . 11.3 t0 -91.26 123.61 34.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.427 ' HB3' ' CD ' ' A' ' 108' ' ' GLU . 34.0 m -60.54 161.77 7.2 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.966 -1.015 . . . . 0.0 109.574 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.411 ' N ' ' HG2' ' A' ' 108' ' ' GLU . 0.9 OUTLIER -63.63 158.38 59.99 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.01 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -81.07 -24.45 4.66 Favored 'Trans proline' 0 N--CA 1.448 -1.188 0 C-N-CA 124.281 3.321 . . . . 0.0 109.537 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.49 -8.92 49.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.012 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.607 ' OE1' ' CZ ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -95.56 -21.51 18.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.277 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.576 ' HD2' ' CD1' ' A' ' 92' ' ' PHE . 0.2 OUTLIER -72.8 -49.26 31.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.33 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.49 -43.45 93.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.155 . . . . 0.0 109.336 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -49.96 -64.66 0.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.585 ' CE2' HD13 ' A' ' 116' ' ' LEU . 37.1 t80 -50.11 -46.69 53.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.422 HG23 ' CG2' ' A' ' 9' ' ' VAL . 1.5 mt -54.32 -31.2 22.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -74.4 -60.91 2.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.248 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.598 ' CE1' ' O ' ' A' ' 31' ' ' GLY . 0.6 OUTLIER -50.29 -32.67 17.58 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.795 -179.82 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.585 HD13 ' CE2' ' A' ' 112' ' ' PHE . 10.0 mt -73.07 -41.51 64.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.367 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.444 ' O ' ' CD1' ' A' ' 117' ' ' LEU . 1.3 pp -90.82 20.87 4.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.7 m -105.36 -71.94 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 110.396 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -62.39 125.43 23.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.332 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 42.7 p -114.71 44.57 1.73 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 110.411 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.51 149.5 1.1 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -70.04 167.91 23.45 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.329 3.352 . . . . 0.0 109.584 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' THR . . . . . 0.467 ' HG1' ' ND2' ' A' ' 56' ' ' ASN . 1.7 m -69.77 -58.38 3.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.393 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 123' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' HEC . . . . . 0.652 ' CMA' ' CZ ' ' A' ' 92' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 53.5 t -51.98 -40.14 27.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.6 m -41.12 -45.48 2.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.383 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.514 ' N ' ' ND2' ' A' ' 4' ' ' ASN . 0.4 OUTLIER -78.45 -48.18 15.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -49.34 -49.6 43.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -58.5 -40.69 83.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.45 -50.49 73.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.474 HD23 ' CG1' ' A' ' 85' ' ' ILE . 6.1 mt -54.23 -52.59 60.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.465 ' CG2' HG23 ' A' ' 113' ' ' ILE . 87.3 t -54.11 -47.34 66.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.312 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -77.68 4.92 10.33 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.809 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.5 mmtt -110.64 -72.36 0.72 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.153 . . . . 0.0 109.276 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.47 ' CB ' ' HB3' ' A' ' 110' ' ' ALA . 97.9 m-85 -51.39 -21.38 2.25 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.844 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.428 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 29.2 m -76.09 -48.09 22.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 110.392 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.408 ' O ' ' N ' ' A' ' 18' ' ' SER . 54.0 t-20 -62.94 -52.73 61.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.0 mt -50.71 -45.21 27.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.68 -37.75 88.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.508 ' ND1' ' O ' ' A' ' 23' ' ' TYR . 33.2 t60 -71.38 -27.11 63.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.57 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 14' ' ' ASN . 46.0 t -72.61 -25.12 61.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.064 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.78 -35.07 14.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.422 ' ND2' ' HG3' ' A' ' 22' ' ' MET . 0.1 OUTLIER -138.23 117.73 9.81 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.323 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -80.13 41.05 1.05 Allowed 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.362 3.375 . . . . 0.0 109.594 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.422 ' HG3' ' ND2' ' A' ' 20' ' ' ASN . 1.4 mtp -142.3 35.88 1.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 111.009 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.508 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 58.5 t80 -149.47 117.66 6.4 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.824 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -96.92 -46.91 6.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.307 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.474 ' CB ' ' CD ' ' A' ' 26' ' ' PRO . . . -167.14 176.45 1.73 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.474 ' CD ' ' CB ' ' A' ' 25' ' ' ALA . 15.6 Cg_exo -71.28 -171.21 0.57 Allowed 'Trans proline' 0 N--CA 1.446 -1.268 0 C-N-CA 124.348 3.365 . . . . 0.0 109.633 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.99 24.47 0.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.971 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 36.7 pt 42.51 49.44 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.253 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 39.5 m -131.29 -52.01 1.02 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.148 . . . . 0.0 110.351 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.33 -39.06 72.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.098 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.401 ' O ' ' CG ' ' A' ' 115' ' ' TYR . . . -71.79 58.46 1.33 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.525 1.14 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.505 ' HG2' ' CZ ' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -154.18 -63.57 0.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 0.784 . . . . 0.0 109.278 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 30.0 mt -78.17 -43.51 27.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -57.13 -22.04 37.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.962 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.598 ' CD1' ' CB ' ' A' ' 49' ' ' CYS . 87.2 t80 -106.81 7.05 30.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 111.013 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -143.57 26.84 1.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.468 ' O ' ' N ' ' A' ' 39' ' ' PHE . 2.4 tpm_? -103.92 93.69 5.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -47.32 94.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.621 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 26.8 p90 -101.45 163.43 12.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.15 134.53 53.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 23.0 p -84.05 154.59 63.98 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.378 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -64.73 -6.03 11.58 Favored 'Trans proline' 0 N--CA 1.446 -1.29 0 C-N-CA 124.334 3.356 . . . . 0.0 109.61 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.8 p -98.27 8.93 44.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.073 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.03 75.46 0.5 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.445 1.091 . . . . 0.0 111.006 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -170.58 136.37 1.25 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 0.777 . . . . 0.0 109.318 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -91.02 122.33 33.59 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 110.316 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.94 -177.11 4.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.426 1.079 . . . . 0.0 109.37 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.621 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -167.07 155.06 9.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.108 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.598 ' CB ' ' CD1' ' A' ' 35' ' ' PHE . 31.0 m -68.78 -9.29 50.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 108.342 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.443 ' O ' ' HA ' ' A' ' 54' ' ' THR . . . -106.61 3.19 26.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.409 ' HB2' ' O ' ' A' ' 48' ' ' ALA . 0.4 OUTLIER -83.61 -18.05 39.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.994 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 57.4 m -125.17 -46.28 1.81 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 108.354 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.524 ' O ' ' OG1' ' A' ' 54' ' ' THR . 74.4 m-70 -91.67 16.91 9.66 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.759 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.524 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 43.2 p 50.65 168.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.391 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.436 ' HA ' ' CB ' ' A' ' 50' ' ' ALA . 9.0 p30 -51.88 -25.82 8.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -129.05 123.39 21.78 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.539 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 55.2 Cg_endo -68.98 -38.79 8.98 Favored 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.3 3.333 . . . . 0.0 109.652 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.6 -14.68 14.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -93.22 169.16 10.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 27.6 t -70.13 136.12 26.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.351 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -109.52 -178.64 21.21 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.552 1.158 . . . . 0.0 110.96 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.0 ttmm -156.56 136.96 13.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 0.774 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.428 ' ND2' ' CD1' ' A' ' 70' ' ' ILE . 87.0 m-20 -87.01 130.57 34.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.5 pt -85.99 9.7 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.348 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 61.7 t -91.48 -55.34 6.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 71.3 p -109.03 -33.3 6.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.403 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 79.71 35.18 29.19 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -78.14 -92.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 0.0 109.298 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -179.01 119.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.294 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.428 ' CD1' ' ND2' ' A' ' 63' ' ' ASN . 3.2 mm -108.93 122.9 38.56 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -70.94 160.03 50.64 Favored 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.327 3.352 . . . . 0.0 109.608 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_endo -45.67 129.64 11.74 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.33 3.353 . . . . 0.0 109.573 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.514 ' O ' ' C ' ' A' ' 74' ' ' ALA . 0.1 OUTLIER -75.68 -29.79 59.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.304 -179.914 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.514 ' C ' ' O ' ' A' ' 73' ' ' LEU . . . -30.48 108.39 0.25 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.574 ' HB2' ' CD2' ' A' ' 82' ' ' PHE . 81.3 Cg_endo -79.32 44.25 1.66 Allowed 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 124.329 3.353 . . . . 0.0 109.612 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.9 ttp85 -157.19 -54.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.312 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 14.3 t -40.82 -42.91 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.481 ' N ' ' OD1' ' A' ' 78' ' ' ASN . 0.2 OUTLIER -100.54 154.0 18.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.5 p -94.67 3.9 54.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.408 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.54 49.81 1.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 50.3 mmt-85 -140.71 157.06 45.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 110.308 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.574 ' CD2' ' HB2' ' A' ' 75' ' ' PRO . 3.7 m-30 44.98 51.11 8.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 91.1 m -81.39 -61.79 1.84 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 110.436 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -87.24 94.07 9.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.341 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.474 ' CG1' HD23 ' A' ' 8' ' ' LEU . 13.7 tt -63.94 -12.7 12.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -76.99 -65.89 0.89 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.252 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.88 58.25 3.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.122 . . . . 0.0 109.292 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -140.77 -39.49 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.348 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.32 -42.7 79.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -69.53 -46.17 67.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.412 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 3.4 mm-40 -55.67 -19.87 12.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.628 ' CZ ' ' CMA' ' A' ' 125' ' ' HEC . 0.2 OUTLIER -83.4 -23.0 32.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.963 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.411 ' OG1' ' CG ' ' A' ' 103' ' ' ASP . 1.0 OUTLIER -92.0 -32.6 15.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.395 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.85 -32.86 63.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.578 1.173 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.566 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.4 t60 -66.13 -58.12 6.14 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.754 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . 0.423 ' C ' ' O ' ' A' ' 102' ' ' ALA . 6.2 m -56.13 -26.15 49.0 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.617 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.461 ' HA ' ' N ' ' A' ' 102' ' ' ALA . 1.8 m-80 -78.0 -13.49 59.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.573 1.171 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -118.54 6.5 11.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.566 HG13 ' CE1' ' A' ' 95' ' ' HIS . 18.3 mm -121.88 -48.2 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 48.0 mt -102.7 -25.26 13.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 102.91 10.86 36.16 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.527 1.142 . . . . 0.0 110.962 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.461 ' N ' ' HA ' ' A' ' 97' ' ' ASN . . . -166.51 -176.76 3.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.433 0.725 . . . . 0.0 109.311 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.411 ' CG ' ' OG1' ' A' ' 93' ' ' THR . 47.0 t0 -85.19 132.5 34.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 55.9 m -73.9 160.55 31.24 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.6 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.1 m -72.14 141.64 84.01 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.984 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -61.09 -16.41 45.74 Favored 'Trans proline' 0 N--CA 1.446 -1.285 0 C-N-CA 124.342 3.362 . . . . 0.0 109.601 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 60.8 p -89.45 -38.89 13.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.976 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -61.7 -23.08 65.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 110.315 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.454 ' C ' ' N ' ' A' ' 111' ' ' ASN . 36.8 mtmt -88.01 -56.9 3.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.47 ' HB3' ' CB ' ' A' ' 12' ' ' TYR . . . -40.28 -29.44 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.454 ' N ' ' C ' ' A' ' 109' ' ' LYS . 0.3 OUTLIER -79.49 -58.1 3.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.634 ' CE2' ' CD2' ' A' ' 116' ' ' LEU . 78.9 t80 -46.55 -44.58 18.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.978 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.465 HG23 ' CG2' ' A' ' 9' ' ' VAL . 1.3 mt -56.93 -35.94 48.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 117' ' ' LEU . . . -67.35 -67.79 0.43 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.15 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.505 ' CZ ' ' HG2' ' A' ' 32' ' ' LYS . 1.3 t80 -45.02 -31.11 1.2 Allowed 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.796 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.634 ' CD2' ' CE2' ' A' ' 112' ' ' PHE . 0.4 OUTLIER -73.21 -40.96 64.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 114' ' ' ALA . 1.1 pp -92.31 23.12 4.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.468 ' CG2' ' O ' ' A' ' 118' ' ' THR . 0.5 OUTLIER -120.49 17.35 12.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.45 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -133.4 119.21 19.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 28.0 p -116.46 29.33 8.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 110.371 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.98 149.97 1.57 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -72.25 167.17 27.6 Favored 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.36 3.373 . . . . 0.0 109.568 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 64.7 m -99.28 -60.24 1.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.376 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 1.6 mtmt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 -179.984 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' HEC . . . . . 0.628 ' CMA' ' CZ ' ' A' ' 92' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.519 ' C ' ' CG2' ' A' ' 2' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.519 ' CG2' ' C ' ' A' ' 1' ' ' ASP . 2.9 t 86.73 -41.21 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.249 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.1 m -42.12 -39.38 1.98 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 110.348 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.506 ' N ' ' ND2' ' A' ' 4' ' ' ASN . 0.3 OUTLIER -81.87 -50.48 9.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.464 ' HB3' ' CD2' ' A' ' 117' ' ' LEU . . . -51.9 -52.12 52.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -60.67 -35.46 76.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.29 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 11' ' ' LYS . 0.7 OUTLIER -62.63 -50.35 71.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.474 HD12 ' CG1' ' A' ' 88' ' ' VAL . 6.5 mt -52.38 -45.6 65.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.336 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.454 ' O ' ' CB ' ' A' ' 13' ' ' THR . 82.7 t -58.81 -56.84 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.255 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -69.38 -5.03 20.83 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.813 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 7' ' ' LYS . 19.3 mmtt -97.73 -72.05 0.66 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.353 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -52.48 -21.06 3.35 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.859 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.48 ' CG2' ' O ' ' A' ' 24' ' ' GLU . 24.1 m -77.27 -49.86 14.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.38 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.53 -54.99 39.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.7 mt -50.74 -51.77 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.404 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . . . -50.94 -56.83 10.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -59.64 -31.44 69.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.648 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 43.3 t -70.34 -14.16 62.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.017 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -101.48 -40.92 6.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -139.13 126.15 12.88 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.33 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -70.11 -3.27 11.9 Favored 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.282 3.321 . . . . 0.0 109.602 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -82.91 -41.17 19.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.404 ' CD1' ' HB3' ' A' ' 16' ' ' ALA . 34.0 t80 -82.81 129.53 35.0 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.818 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.48 ' O ' ' CG2' ' A' ' 13' ' ' THR . 2.7 mt-10 -121.76 -44.1 2.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.272 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.469 ' CB ' ' CD ' ' A' ' 26' ' ' PRO . . . -165.52 176.35 2.03 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.469 ' CD ' ' CB ' ' A' ' 25' ' ' ALA . 13.4 Cg_exo -72.17 173.77 12.45 Favored 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.332 3.354 . . . . 0.0 109.618 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.441 ' C ' ' N ' ' A' ' 29' ' ' THR . 0.1 OUTLIER -145.09 18.46 1.59 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 109.988 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.468 ' C ' ' CE2' ' A' ' 115' ' ' TYR . 24.0 pt 40.21 29.91 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.322 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.459 ' CG2' ' O ' ' A' ' 29' ' ' THR . 2.0 m -138.94 11.8 2.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 110.365 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.84 -37.32 3.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.456 ' N ' ' OD1' ' A' ' 111' ' ' ASN . . . -77.85 53.6 3.72 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.515 1.134 . . . . 0.0 111.019 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.501 ' HG2' ' CZ ' ' A' ' 115' ' ' TYR . 0.1 OUTLIER -134.51 -65.98 0.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 0.75 . . . . 0.0 109.317 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 43.9 mt -67.39 -28.93 43.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.255 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.446 ' CZ ' ' OE1' ' A' ' 108' ' ' GLU . 45.7 t80 -71.59 -19.05 62.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.968 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.58 ' CD1' ' HB2' ' A' ' 49' ' ' CYS . 81.2 t80 -107.99 7.23 27.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.59 1.181 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 3.7 m-80 -137.32 21.18 2.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.258 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.3 ttt85 -96.96 115.34 27.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.307 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.8 ttmm -71.01 97.68 1.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.437 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 32.1 p90 -106.21 162.74 13.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 111.023 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.424 ' HG2' ' N ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -106.75 137.87 43.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -111.11 149.04 39.92 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.405 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -80.54 45.47 1.99 Allowed 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 124.35 3.367 . . . . 0.0 109.621 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.5 t 179.69 57.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.025 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 151.04 -98.36 0.18 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.491 1.119 . . . . 0.0 111.03 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.522 ' O ' ' C ' ' A' ' 46' ' ' GLU . 0.1 OUTLIER 175.72 172.7 0.32 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 0.754 . . . . 0.0 109.311 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.522 ' C ' ' O ' ' A' ' 45' ' ' LYS . 0.2 OUTLIER -28.14 136.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.295 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -149.07 -170.2 3.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.437 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -171.87 148.64 2.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.259 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.58 ' HB2' ' CD1' ' A' ' 35' ' ' PHE . 33.6 m -62.25 -15.3 46.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 108.293 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.447 ' O ' ' HA ' ' A' ' 54' ' ' THR . . . -98.6 4.08 48.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 109.34 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.481 ' OG ' ' CMC' ' A' ' 125' ' ' HEC . 83.7 p -75.77 -27.26 57.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 109.995 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 65.6 m -120.18 -47.09 2.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.163 . . . . 0.0 108.324 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.512 ' O ' ' OG1' ' A' ' 54' ' ' THR . 65.4 m-70 -84.22 14.62 4.14 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.76 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.512 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 45.6 p 50.06 172.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 110.369 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -52.41 -23.38 5.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.246 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -133.33 128.49 20.32 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.483 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 83.6 Cg_endo -72.81 -40.67 1.8 Allowed 'Trans proline' 0 N--CA 1.448 -1.169 0 C-N-CA 124.317 3.345 . . . . 0.0 109.585 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.63 -16.61 11.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 109.305 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.559 ' ND2' ' OXT' ' A' ' 124' ' ' LYS . 12.6 t-20 -88.98 173.83 8.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.1 t -75.71 118.94 22.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -89.5 -174.53 46.0 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.487 1.117 . . . . 0.0 111.036 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -161.39 135.63 6.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 0.754 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.442 ' ND2' ' CD1' ' A' ' 70' ' ' ILE . 87.2 m-20 -86.5 129.57 34.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 7.5 pt -83.42 5.91 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 71.0 t -86.24 -55.02 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.344 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 67.7 p -108.01 -33.31 7.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.105 . . . . 0.0 110.39 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 81.07 36.97 20.13 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.7 -95.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.771 . . . . 0.0 109.338 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -178.62 122.86 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.332 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.442 ' CD1' ' ND2' ' A' ' 63' ' ' ASN . 3.0 mm -108.42 107.12 59.86 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -49.84 165.76 0.29 Allowed 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 124.282 3.322 . . . . 0.0 109.651 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.439 ' O ' ' ND2' ' A' ' 78' ' ' ASN . 1.4 Cg_endo -42.47 126.69 4.09 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.337 3.358 . . . . 0.0 109.575 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 75' ' ' PRO . 7.4 tp -76.89 -31.49 56.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.458 ' CB ' ' HB ' ' A' ' 77' ' ' VAL . . . -37.98 98.28 0.16 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.575 ' HB3' ' CD1' ' A' ' 82' ' ' PHE . 24.0 Cg_exo -63.3 -15.97 51.57 Favored 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.378 3.385 . . . . 0.0 109.603 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -96.92 -44.36 7.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.321 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.458 ' HB ' ' CB ' ' A' ' 74' ' ' ALA . 41.5 t -54.85 -40.51 52.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 72' ' ' PRO . 0.5 OUTLIER -93.86 136.49 34.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.279 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.3 p -84.79 -3.61 58.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.374 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 11.9 mttm -111.15 43.75 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.248 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.453 ' CB ' ' HA ' ' A' ' 75' ' ' PRO . 46.6 mmt-85 -144.65 170.38 16.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.293 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.575 ' CD1' ' HB3' ' A' ' 75' ' ' PRO . 1.9 m-30 37.92 68.54 0.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 11.7 m -108.32 -68.44 0.91 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.443 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 52.9 t0 -76.64 114.47 15.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.48 ' CG1' ' HB3' ' A' ' 4' ' ' ASN . 9.3 mt -61.93 -41.63 91.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.56 -70.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 88' ' ' VAL . 7.5 tttt -45.6 -66.61 0.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.474 ' CG1' HD12 ' A' ' 8' ' ' LEU . 0.9 OUTLIER -37.86 -41.04 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.317 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -98.85 72.3 1.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.317 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -174.46 -68.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.348 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.496 ' HG3' ' N ' ' A' ' 92' ' ' PHE . 7.0 pt-20 -57.44 -36.67 71.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.594 ' CZ ' ' CMA' ' A' ' 125' ' ' HEC . 0.1 OUTLIER -47.1 -32.85 4.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -85.0 -44.62 12.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.411 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.12 -23.1 66.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.461 ' O ' ' CG1' ' A' ' 99' ' ' ILE . 1.9 t60 -68.98 -56.73 6.89 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.784 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 21.0 m -62.2 -30.52 71.14 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.331 -0.85 . . . . 0.0 109.571 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -76.86 -16.74 59.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -119.5 15.9 12.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.461 ' CG1' ' O ' ' A' ' 95' ' ' HIS . 7.0 mm -131.76 -44.95 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.5 mt -103.77 -36.97 7.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 111.21 18.53 8.12 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.508 1.13 . . . . 0.0 110.969 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -163.85 -176.48 4.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 0.789 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.409 ' O ' ' O ' ' A' ' 104' ' ' CYS . 2.3 t0 -97.25 109.11 21.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.409 ' O ' ' O ' ' A' ' 103' ' ' ASP . 6.1 m -43.41 164.91 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.59 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.461 ' O ' ' HG3' ' A' ' 108' ' ' GLU . 10.4 p -84.13 153.24 62.88 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.997 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -69.69 -8.96 24.95 Favored 'Trans proline' 0 N--CA 1.446 -1.278 0 C-N-CA 124.328 3.352 . . . . 0.0 109.615 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 60.5 p -93.46 -46.45 7.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 0.0 109.99 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.47 ' CD ' ' C ' ' A' ' 108' ' ' GLU . 1.6 pp20? -64.8 -19.71 65.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.3 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.548 ' HD2' ' CD1' ' A' ' 92' ' ' PHE . 2.8 tppp? -75.8 -62.88 1.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -51.3 -26.09 6.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.456 ' OD1' ' N ' ' A' ' 31' ' ' GLY . 5.7 t-20 -72.14 -64.13 1.0 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.334 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.651 ' CE2' ' CD1' ' A' ' 116' ' ' LEU . 89.5 t80 -43.67 -45.65 7.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 110.959 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.401 ' O ' ' HG ' ' A' ' 117' ' ' LEU . 1.9 mt -55.48 -42.07 66.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 116' ' ' LEU . . . -60.13 -73.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.501 ' CZ ' ' HG2' ' A' ' 32' ' ' LYS . 0.2 OUTLIER -39.55 -29.02 0.05 OUTLIER 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.047 -0.979 . . . . 0.0 109.841 -179.938 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.651 ' CD1' ' CE2' ' A' ' 112' ' ' PHE . 13.8 mt -76.24 -51.51 11.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.464 ' CD2' ' HB3' ' A' ' 5' ' ' ALA . 11.8 mt -64.83 -19.95 66.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -85.66 -27.66 25.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 110.42 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -85.48 98.63 10.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.328 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 16.8 p -122.7 5.42 9.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.382 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -131.66 96.88 19.91 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -47.49 175.02 0.02 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.316 3.344 . . . . 0.0 109.581 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 19.9 p -139.64 49.02 1.81 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.412 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.559 ' OXT' ' ND2' ' A' ' 59' ' ' ASN . 2.8 mtpm? . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 109.29 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' HEC . . . . . 0.594 ' CMA' ' CZ ' ' A' ' 92' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.2 t0 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.2 -39.03 79.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.1 m -38.54 -48.77 1.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.345 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.5 ' N ' ' ND2' ' A' ' 4' ' ' ASN . 0.5 OUTLIER -75.4 -46.1 34.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -49.81 -47.87 51.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -66.89 -32.15 73.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 110.336 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.54 -46.57 72.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 0.0 109.256 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.9 mt -55.39 -49.31 72.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.261 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.437 ' O ' ' CB ' ' A' ' 13' ' ' THR . 73.5 t -57.01 -51.02 74.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -71.33 -3.32 20.01 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.791 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -102.14 -73.4 0.66 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -48.77 -22.79 0.87 Allowed 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.855 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.437 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 48.2 m -77.61 -50.62 12.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.38 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -59.89 -54.09 50.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.0 mt -49.02 -48.95 16.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.457 ' O ' ' ND2' ' A' ' 20' ' ' ASN . . . -60.19 -51.06 71.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.447 ' ND1' ' O ' ' A' ' 23' ' ' TYR . 72.4 t60 -58.01 -29.32 65.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.595 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 28.0 t -71.07 -23.67 62.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.0 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -87.92 -37.98 15.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 16' ' ' ALA . 0.2 OUTLIER -140.33 129.17 13.14 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -84.87 40.82 0.87 Allowed 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 124.303 3.335 . . . . 0.0 109.627 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.4 ptt? -141.39 32.56 1.69 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 111.037 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.447 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 77.8 t80 -153.11 111.76 3.71 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.849 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -93.15 -47.98 6.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 0.0 110.345 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.464 ' CB ' ' CD ' ' A' ' 26' ' ' PRO . . . -165.35 175.83 2.28 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.464 ' CD ' ' CB ' ' A' ' 25' ' ' ALA . 16.8 Cg_exo -70.83 -174.04 1.02 Allowed 'Trans proline' 0 N--CA 1.447 -1.255 0 C-N-CA 124.336 3.357 . . . . 0.0 109.609 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.48 20.35 0.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.954 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 31.4 pt 41.76 49.1 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 89.0 m -151.94 35.82 0.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.117 . . . . 0.0 110.335 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -142.24 -47.12 0.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.354 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -49.35 -23.75 4.6 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 111.035 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.425 ' HD2' ' N ' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -74.94 -42.05 58.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 0.751 . . . . 0.0 109.319 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.522 ' CG2' ' O ' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -88.26 7.83 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.513 ' CG ' ' O ' ' A' ' 34' ' ' PHE . 80.0 t80 -126.47 31.23 5.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.568 ' CD1' ' HB2' ' A' ' 49' ' ' CYS . 34.2 t80 -146.46 -40.66 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -100.76 -5.23 26.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.411 ' HB2' ' O ' ' A' ' 33' ' ' ILE . 22.3 ttt85 -68.15 96.48 0.64 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -55.41 100.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.588 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 29.0 p90 -106.26 162.25 13.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 110.965 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.6 ttmt -103.59 153.44 20.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 43.6 p -107.97 153.46 41.67 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 110.429 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -65.13 -7.84 16.68 Favored 'Trans proline' 0 N--CA 1.447 -1.259 0 C-N-CA 124.342 3.361 . . . . 0.0 109.625 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 p -104.15 32.75 3.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 110.003 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 38.48 78.57 0.05 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.455 1.097 . . . . 0.0 111.021 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.6 tttp -179.84 88.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 0.781 . . . . 0.0 109.266 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.67 153.51 0.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -160.93 -169.26 2.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.588 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -172.82 157.5 3.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.568 ' HB2' ' CD1' ' A' ' 35' ' ' PHE . 49.5 m -72.93 -10.34 59.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 108.31 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.423 ' HA ' ' O ' ' A' ' 54' ' ' THR . . . -102.27 1.69 36.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.401 ' HB2' ' O ' ' A' ' 48' ' ' ALA . 0.4 OUTLIER -81.73 -15.27 54.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.99 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 26.4 m -128.61 -48.01 1.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 108.261 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.494 ' O ' ' O ' ' A' ' 54' ' ' THR . 84.3 m-70 -89.76 17.82 6.2 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.761 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.494 ' O ' ' O ' ' A' ' 53' ' ' HIS . 66.2 p 49.39 172.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 110.362 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -56.78 -24.08 47.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.107 . . . . 0.0 109.269 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -131.65 126.94 21.26 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.367 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -71.32 -41.66 2.36 Favored 'Trans proline' 0 N--CA 1.447 -1.237 0 C-N-CA 124.281 3.321 . . . . 0.0 109.641 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.23 -17.37 7.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.271 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -89.42 172.91 8.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 74.1 t -76.07 121.8 28.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.26 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 70' ' ' ILE . . . -88.97 -173.6 46.59 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.507 1.129 . . . . 0.0 111.002 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.7 ttmt -163.96 135.08 4.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 0.792 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.426 ' ND2' ' CD1' ' A' ' 70' ' ' ILE . 90.4 m-20 -86.61 130.12 34.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.6 pt -84.56 6.22 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 58.8 t -87.43 -53.52 9.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.268 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 71.1 p -108.99 -33.34 6.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 110.428 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 80.86 35.6 24.4 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.467 1.104 . . . . 0.0 111.025 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.406 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 2.4 mmtp -81.35 -95.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 0.772 . . . . 0.0 109.244 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.406 ' HB3' ' O ' ' A' ' 68' ' ' LYS . 12.0 pt-20 -179.95 123.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' ' 61' ' ' GLY . 1.8 mm -114.78 92.26 29.1 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -45.73 164.82 0.07 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.321 3.347 . . . . 0.0 109.607 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -34.2 134.41 0.13 Allowed 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.319 3.346 . . . . 0.0 109.626 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.51 ' CD1' ' O1D' ' A' ' 125' ' ' HEC . 7.1 tp -98.56 -26.56 14.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 73' ' ' LEU . . . -35.88 115.67 0.6 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.577 ' HB2' ' CD2' ' A' ' 82' ' ' PHE . 72.2 Cg_endo -80.32 45.26 1.92 Allowed 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.299 3.333 . . . . 0.0 109.594 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 10.7 ttt180 -154.37 -57.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 110.26 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 18.9 t -44.85 -41.07 2.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.458 ' N ' ' OD1' ' A' ' 78' ' ' ASN . 0.4 OUTLIER -103.72 141.77 35.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 16.9 p -85.07 -0.49 54.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.434 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.48 43.8 1.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.259 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 38.6 mmt-85 -142.73 162.41 35.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.577 ' CD2' ' HB2' ' A' ' 75' ' ' PRO . 2.1 m-30 39.08 57.81 1.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 111.034 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.499 ' O ' ' CG2' ' A' ' 83' ' ' THR . 1.7 m -129.62 54.62 1.82 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.372 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.435 ' C ' ' N ' ' A' ' 86' ' ' ASP . 39.9 p-10 177.31 66.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.485 ' CG1' ' HB3' ' A' ' 4' ' ' ASN . 4.3 mp -40.28 -30.07 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.435 ' N ' ' C ' ' A' ' 84' ' ' ASP . 0.6 OUTLIER -54.95 -69.98 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.9 mttp -75.95 66.31 2.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.333 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 1.1 t -150.76 -49.85 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.39 59.97 0.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.315 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 170.22 -45.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.265 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -58.43 -16.36 14.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.707 ' CZ ' ' CMA' ' A' ' 125' ' ' HEC . 0.2 OUTLIER -91.86 -23.14 19.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.997 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.492 ' CG2' ' OD2' ' A' ' 103' ' ' ASP . 1.0 OUTLIER -90.0 -36.67 14.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.432 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt -70.55 -28.82 65.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.477 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.2 t60 -70.88 -59.33 2.85 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.768 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . 0.4 ' C ' ' O ' ' A' ' 102' ' ' ALA . 10.1 m -55.85 -22.23 24.04 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.342 -0.844 . . . . 0.0 109.619 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -83.62 -11.07 57.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -120.78 9.19 10.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.477 HG13 ' CE1' ' A' ' 95' ' ' HIS . 45.8 mm -125.64 -44.43 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.412 HD22 ' CE1' ' A' ' 39' ' ' PHE . 50.3 mt -105.2 -29.21 10.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 103.64 13.94 26.66 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.118 . . . . 0.0 111.01 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 96' ' ' CYS . . . -164.09 -176.69 4.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 0.755 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.492 ' OD2' ' CG2' ' A' ' 93' ' ' THR . 28.9 t0 -90.95 125.52 35.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 25.3 m -62.31 160.52 13.08 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.583 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.0 m -74.78 145.62 81.87 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.477 1.111 . . . . 0.0 109.974 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -60.48 -17.58 48.9 Favored 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 124.32 3.347 . . . . 0.0 109.585 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 78.3 p -86.78 -40.62 14.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.982 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -70.17 -8.18 47.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.345 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.54 ' HD2' ' CD1' ' A' ' 92' ' ' PHE . 0.1 OUTLIER -83.38 -60.54 2.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -55.62 -34.15 64.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -57.35 -64.39 0.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.646 ' CE2' ' CD1' ' A' ' 116' ' ' LEU . 70.8 t80 -49.8 -43.22 48.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 1.7 mt -56.29 -38.68 56.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 117' ' ' LEU . . . -66.22 -68.5 0.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.418 ' CZ ' ' HB3' ' A' ' 32' ' ' LYS . 0.3 OUTLIER -44.58 -34.56 2.19 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.021 -0.991 . . . . 0.0 109.832 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.646 ' CD1' ' CE2' ' A' ' 112' ' ' PHE . 7.9 mt -70.78 -41.86 71.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.452 ' O ' ' CD1' ' A' ' 117' ' ' LEU . 1.1 pp -90.78 17.69 7.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 23.2 m -129.14 -76.89 0.55 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.4 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -91.78 75.22 5.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.281 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -125.12 64.83 1.14 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 110.36 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -132.77 146.93 63.45 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -81.28 166.01 18.54 Favored 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.318 3.346 . . . . 0.0 109.596 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 3.0 m -107.77 -63.14 1.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 110.445 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.33 -179.99 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' HEC . . . . . 0.707 ' CMA' ' CZ ' ' A' ' 92' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.416 HG23 ' NH2' ' A' ' 76' ' ' ARG . 54.4 t -51.94 -46.23 41.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.9 m -47.95 -28.52 2.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.1 . . . . 0.0 110.438 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.561 ' N ' HD21 ' A' ' 4' ' ' ASN . 0.9 OUTLIER -90.42 -54.98 3.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.489 ' HB2' ' CD2' ' A' ' 117' ' ' LEU . . . -49.36 -51.03 37.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.7 tp10 -52.58 -40.88 63.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 110.272 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.416 ' HD2' ' N ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -62.7 -54.24 42.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.28 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.416 ' N ' ' HD2' ' A' ' 7' ' ' LYS . 11.5 mt -47.93 -39.81 20.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.468 HG21 ' CG2' ' A' ' 113' ' ' ILE . 44.4 t -67.02 -49.56 72.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -71.51 -2.7 17.75 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.835 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.8 mptt -104.71 -75.79 0.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -45.35 -25.15 0.36 Allowed 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.843 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.443 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 54.1 m -74.94 -55.46 5.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.347 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -54.55 -56.51 18.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.7 mt -47.48 -50.95 7.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.18 -48.54 78.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.448 ' ND1' ' O ' ' A' ' 23' ' ' TYR . 74.2 t60 -62.11 -31.39 71.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.592 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 37.6 t -70.34 -20.47 62.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.004 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -97.31 -33.68 11.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.417 ' ND2' ' HG2' ' A' ' 22' ' ' MET . 0.1 OUTLIER -138.0 115.42 9.42 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -77.89 41.88 1.08 Allowed 'Trans proline' 0 N--CA 1.448 -1.178 0 C-N-CA 124.284 3.322 . . . . 0.0 109.61 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.417 ' HG2' ' ND2' ' A' ' 20' ' ' ASN . 9.5 ptm -144.49 33.02 1.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 111.021 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.448 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 72.7 t80 -152.6 114.96 4.46 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 114.953 -1.021 . . . . 0.0 109.825 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -95.75 -48.65 5.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.313 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.473 ' CB ' ' CD ' ' A' ' 26' ' ' PRO . . . -160.76 176.8 2.33 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.425 1.078 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.473 ' CD ' ' CB ' ' A' ' 25' ' ' ALA . 24.6 Cg_exo -68.04 167.22 22.31 Favored 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.37 3.38 . . . . 0.0 109.606 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.412 ' O ' ' CG1' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -132.45 13.64 4.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.954 -179.924 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.412 ' CG1' ' O ' ' A' ' 27' ' ' SER . 46.2 pt 44.7 56.61 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 52.0 m -140.46 -53.51 0.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.407 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -64.61 -27.12 68.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.152 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.532 ' HA2' ' CD2' ' A' ' 115' ' ' TYR . . . -70.5 57.95 0.91 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.468 1.105 . . . . 0.0 110.987 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.505 ' HG2' ' CZ ' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -156.01 -64.64 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 0.756 . . . . 0.0 109.298 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 55.6 mt -63.62 -52.17 60.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -54.34 -20.59 7.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 111.012 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.427 ' O ' ' OD1' ' A' ' 36' ' ' ASN . 82.1 t80 -108.13 5.77 26.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 110.966 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.427 ' OD1' ' O ' ' A' ' 35' ' ' PHE . 84.2 m-20 -143.81 27.57 1.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -107.8 94.86 5.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.279 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.4 ttpp -49.49 94.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.576 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 24.4 p90 -98.49 164.5 12.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 67.6 tttt -107.42 140.68 39.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 19.4 p -97.36 154.24 38.11 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.378 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -63.96 -7.62 13.81 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.332 3.355 . . . . 0.0 109.556 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 44' ' ' GLY . 1.1 p -105.31 32.42 4.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.035 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 43' ' ' SER . . . 37.7 81.68 0.02 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 179.53 82.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 0.746 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -41.68 153.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -164.36 -176.04 4.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.576 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -162.09 155.95 21.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.541 ' O ' ' HB2' ' A' ' 53' ' ' HIS . 85.8 m -69.8 -9.48 54.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 108.302 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.473 ' O ' ' HA ' ' A' ' 54' ' ' THR . . . -110.44 10.51 23.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.58 -40.28 56.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.995 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 43.4 m -109.57 -32.77 7.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 108.296 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.541 ' HB2' ' O ' ' A' ' 49' ' ' CYS . 70.7 m-70 -94.26 13.7 22.62 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.785 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.512 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 47.7 p 50.2 172.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.112 . . . . 0.0 110.388 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.471 ' HA ' ' CB ' ' A' ' 50' ' ' ALA . 4.6 p30 -59.25 -18.05 33.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -131.2 126.27 21.38 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.494 ' CG ' ' OE2' ' A' ' 119' ' ' GLU . 73.0 Cg_endo -71.7 -48.21 0.42 Allowed 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.271 3.314 . . . . 0.0 109.652 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.16 -19.72 3.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -84.41 178.28 7.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 38.5 t -79.03 153.35 4.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -127.97 -174.98 13.91 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.486 1.116 . . . . 0.0 110.982 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -176.72 132.53 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 0.765 . . . . 0.0 109.255 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -80.45 136.49 36.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.0 pt -88.69 12.45 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 109.272 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 55.9 t -92.67 -54.78 6.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 72.5 p -102.74 -30.81 10.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.39 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 85.63 43.55 6.44 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.488 1.117 . . . . 0.0 111.028 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.61 -169.17 2.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.55 0.794 . . . . 0.0 109.35 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -121.09 98.83 6.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.276 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.8 mm -83.22 135.46 44.42 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.466 ' CB ' ' HD2' ' A' ' 72' ' ' PRO . 72.9 Cg_endo -76.81 170.13 20.42 Favored 'Trans proline' 0 N--CA 1.448 -1.175 0 C-N-CA 124.271 3.314 . . . . 0.0 109.593 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.466 ' HD2' ' CB ' ' A' ' 71' ' ' PRO . 6.1 Cg_endo -46.07 131.13 13.96 Favored 'Trans proline' 0 N--CA 1.447 -1.26 0 C-N-CA 124.261 3.307 . . . . 0.0 109.64 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.455 ' O ' ' C ' ' A' ' 74' ' ' ALA . 9.1 tp -86.86 -27.89 23.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.341 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.455 ' C ' ' O ' ' A' ' 73' ' ' LEU . . . -36.5 114.58 0.62 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.636 ' HB2' ' CD2' ' A' ' 82' ' ' PHE . 84.2 Cg_endo -79.48 47.76 2.62 Favored 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.319 3.346 . . . . 0.0 109.626 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.423 ' NH1' ' HB3' ' A' ' 117' ' ' LEU . 13.7 ttm180 -159.73 -58.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.256 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 31.4 t -42.58 -42.39 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.269 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.507 ' OD1' ' N ' ' A' ' 78' ' ' ASN . 0.4 OUTLIER -118.92 114.25 22.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 19.4 p -58.25 -16.37 13.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.42 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.5 mmpt? -64.53 -21.62 66.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.443 ' CB ' ' HA ' ' A' ' 75' ' ' PRO . 19.0 mmt-85 -80.1 159.53 26.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.636 ' CD2' ' HB2' ' A' ' 75' ' ' PRO . 5.8 m-30 45.75 57.79 4.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.986 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 44.5 m -79.71 -63.87 1.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.467 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -90.52 102.94 15.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.407 ' CD1' ' HB3' ' A' ' 4' ' ' ASN . 6.4 tt -71.79 -5.0 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -89.01 -37.49 15.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.137 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 89' ' ' GLU . 13.7 mttt -86.33 -57.19 3.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.513 HG23 ' CD1' ' A' ' 82' ' ' PHE . 0.4 OUTLIER -39.88 -30.01 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 87' ' ' LYS . 30.5 mt-10 -72.06 -54.73 8.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.57 1.168 . . . . 0.0 110.325 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -65.23 -49.87 68.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -48.16 -44.16 32.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.343 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.708 ' CZ ' ' CMA' ' A' ' 125' ' ' HEC . 0.1 OUTLIER -56.86 -27.11 59.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 111.017 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.1 m -88.22 -36.9 16.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.44 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.21 -25.58 59.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.465 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.4 t60 -70.25 -59.97 2.56 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.78 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . 0.427 ' C ' ' O ' ' A' ' 102' ' ' ALA . 3.7 m -56.15 -21.62 23.82 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.564 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -84.7 -12.82 53.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.06 6.38 11.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.465 HG13 ' CE1' ' A' ' 95' ' ' HIS . 46.3 mm -122.22 -49.03 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.411 HD22 ' CE1' ' A' ' 39' ' ' PHE . 64.5 mt -99.53 -32.15 11.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 107.11 14.93 17.45 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.461 1.101 . . . . 0.0 110.956 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.427 ' O ' ' C ' ' A' ' 96' ' ' CYS . . . -167.39 -170.85 1.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 0.78 . . . . 0.0 109.285 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -95.3 121.09 36.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 64.1 m -60.92 161.74 7.84 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.562 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.476 ' OG ' ' CG ' ' A' ' 108' ' ' GLU . 53.2 p -77.48 143.31 68.13 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.975 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -59.41 -15.23 28.84 Favored 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.323 3.349 . . . . 0.0 109.614 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 79.6 p -85.16 -43.83 13.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.986 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.476 ' CG ' ' OG ' ' A' ' 105' ' ' SER . 2.7 mm-40 -69.04 -8.78 48.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 110.349 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.544 ' HD2' ' CG ' ' A' ' 92' ' ' PHE . 2.5 tppt? -88.16 -65.69 0.99 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -49.91 -22.04 1.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.413 ' N ' ' C ' ' A' ' 109' ' ' LYS . 0.2 OUTLIER -76.77 -53.91 7.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.594 ' CE2' HD23 ' A' ' 116' ' ' LEU . 40.3 t80 -56.85 -44.95 82.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 111.025 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.468 ' CG2' HG21 ' A' ' 9' ' ' VAL . 1.5 mt -56.38 -42.03 73.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 115' ' ' TYR . . . -57.93 -76.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.532 ' CD2' ' HA2' ' A' ' 31' ' ' GLY . 0.2 OUTLIER -36.87 -42.12 0.37 Allowed 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.869 -179.913 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.594 HD23 ' CE2' ' A' ' 112' ' ' PHE . 1.8 mp -61.12 -60.99 2.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.489 ' CD2' ' HB2' ' A' ' 5' ' ' ALA . 55.5 mt -51.15 -33.77 28.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.8 -59.4 2.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 110.426 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.494 ' OE2' ' CG ' ' A' ' 57' ' ' PRO . 4.1 pt-20 -70.94 124.35 24.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 110.282 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 69.2 p -147.63 49.49 1.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.392 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.01 132.39 0.41 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.251 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -44.87 168.45 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 124.325 3.35 . . . . 0.0 109.583 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 3.8 m -116.91 -63.17 1.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.393 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' HEC . . . . . 0.708 ' CMA' ' CZ ' ' A' ' 92' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.661 ' H1 ' ' HB3' ' A' ' 5' ' ' ALA . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.552 ' CG2' ' O ' ' A' ' 1' ' ' ASP . 24.2 t -162.06 -66.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.431 1.082 . . . . 0.0 109.356 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.1 m -58.48 -33.11 69.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 110.4 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.57 ' N ' HD21 ' A' ' 4' ' ' ASN . 0.9 OUTLIER -90.8 -56.1 3.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.259 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.661 ' HB3' ' H1 ' ' A' ' 1' ' ' ASP . . . -46.27 -39.86 10.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.143 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -65.14 -37.91 88.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.281 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 4' ' ' ASN . 0.0 OUTLIER -60.91 -53.58 55.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.157 . . . . 0.0 109.35 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.472 HD23 ' CG1' ' A' ' 85' ' ' ILE . 5.8 mt -49.29 -51.48 33.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.459 ' O ' ' CB ' ' A' ' 13' ' ' THR . 87.3 t -54.71 -52.57 40.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 18.5 t80 -72.51 0.65 9.81 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.82 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -105.46 -74.45 0.65 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.462 ' HB2' ' CB ' ' A' ' 110' ' ' ALA . 94.8 m-85 -49.4 -24.64 2.04 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.847 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.459 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 52.3 m -74.66 -47.7 30.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.394 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 53.6 t-20 -58.3 -52.95 63.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.2 mt -52.42 -48.68 45.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.43 -41.5 89.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.487 ' ND1' ' O ' ' A' ' 23' ' ' TYR . 15.9 t60 -67.67 -31.58 71.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.609 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 46.5 t -66.39 -24.43 66.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.99 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.24 -36.27 13.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.288 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.413 ' O ' ' HA ' ' A' ' 17' ' ' HIS . 11.5 t-20 -135.27 118.78 12.98 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.26 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -81.64 40.56 1.0 Allowed 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 124.286 3.324 . . . . 0.0 109.618 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.7 mtt -145.28 37.57 1.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 110.983 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.487 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 55.7 t80 -147.42 120.32 8.73 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.821 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -100.16 -45.86 5.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 110.285 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.473 ' CB ' ' CD ' ' A' ' 26' ' ' PRO . . . -168.36 176.42 1.53 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.085 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.473 ' CD ' ' CB ' ' A' ' 25' ' ' ALA . 17.2 Cg_exo -70.46 179.85 3.76 Favored 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 124.315 3.343 . . . . 0.0 109.606 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -135.49 22.94 3.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.978 -179.881 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.428 ' C ' ' O ' ' A' ' 27' ' ' SER . 16.8 pt 37.43 45.17 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.494 ' CG2' ' O ' ' A' ' 29' ' ' THR . 3.4 m -162.11 33.52 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.403 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -133.3 -46.75 0.83 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.442 ' O ' ' CB ' ' A' ' 35' ' ' PHE . . . -50.57 -37.6 33.79 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.449 1.093 . . . . 0.0 110.964 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.566 ' HG2' ' CE1' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -51.48 -69.59 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 0.766 . . . . 0.0 109.315 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 29.7 mt -48.55 -57.89 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.558 ' CZ ' ' OE2' ' A' ' 108' ' ' GLU . 20.2 t80 -53.68 -20.57 5.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.96 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.565 ' CE2' ' HD3' ' A' ' 57' ' ' PRO . 85.7 t80 -108.33 5.37 25.46 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 32' ' ' LYS . 3.5 m-80 -142.21 25.59 1.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 39' ' ' PHE . 2.9 tpm_? -107.54 96.7 6.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.334 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.7 ttpt -49.66 94.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.523 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 25.3 p90 -98.91 165.32 11.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.987 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -105.59 143.71 33.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 45' ' ' LYS . 43.3 p -97.88 153.95 38.0 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.359 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.439 ' CG ' ' HA2' ' A' ' 101' ' ' GLY . 72.2 Cg_endo -67.4 -4.54 12.05 Favored 'Trans proline' 0 N--CA 1.448 -1.2 0 C-N-CA 124.275 3.317 . . . . 0.0 109.629 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 p -107.28 31.03 5.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.021 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.403 ' O ' ' CB ' ' A' ' 45' ' ' LYS . . . 46.33 82.81 0.03 OUTLIER Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.5 1.125 . . . . 0.0 110.966 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.403 ' CB ' ' O ' ' A' ' 44' ' ' GLY . 2.6 tttt 170.95 111.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 0.792 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.47 154.2 41.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -163.96 176.98 8.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.523 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -154.68 151.63 28.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.531 ' HB2' ' CD1' ' A' ' 35' ' ' PHE . 56.4 m -64.08 -14.75 56.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 108.328 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.44 ' O ' ' HA ' ' A' ' 54' ' ' THR . . . -100.6 5.2 43.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.443 ' OG ' ' CMC' ' A' ' 125' ' ' HEC . 84.3 p -74.08 -30.67 62.47 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.431 1.082 . . . . 0.0 110.026 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 57.7 m -116.99 -43.91 2.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 108.284 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.509 ' O ' ' OG1' ' A' ' 54' ' ' THR . 65.8 m-70 -85.7 15.03 5.03 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.754 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.509 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 39.4 p 49.98 174.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 110.353 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -56.16 -25.3 46.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -128.53 122.64 21.86 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.145 . . . . 0.0 109.345 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.565 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 55.4 Cg_endo -68.84 -43.78 3.31 Favored 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.322 3.348 . . . . 0.0 109.557 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.44 -18.37 2.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.404 ' N ' ' C ' ' A' ' 57' ' ' PRO . 9.6 t-20 -85.49 -178.83 6.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 25.5 t -85.32 115.76 27.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 70' ' ' ILE . . . -76.91 -164.39 20.27 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.449 1.093 . . . . 0.0 111.007 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.481 ' CG ' ' O ' ' A' ' 68' ' ' LYS . 0.1 OUTLIER -175.54 118.79 0.17 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 0.754 . . . . 0.0 109.331 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -71.02 126.69 30.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 10.8 pt -79.13 1.77 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 94.6 t -79.64 -51.3 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.337 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 70.1 p -108.96 -29.55 8.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.379 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 87.04 44.02 5.8 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.479 1.112 . . . . 0.0 111.012 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.481 ' O ' ' CG ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -98.28 -159.95 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.765 . . . . 0.0 109.307 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.445 ' N ' ' CD ' ' A' ' 69' ' ' GLU . 1.3 pm0 -125.69 105.28 8.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.282 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.433 ' O ' ' N ' ' A' ' 61' ' ' GLY . 2.1 mm -86.72 115.48 62.52 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -47.63 166.08 0.11 Allowed 'Trans proline' 0 N--CA 1.446 -1.27 0 C-N-CA 124.314 3.343 . . . . 0.0 109.589 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_exo -38.86 131.7 1.2 Allowed 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.292 3.328 . . . . 0.0 109.589 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 75' ' ' PRO . 3.0 tp -83.62 -33.12 25.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.344 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -39.52 99.81 0.2 Allowed Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.119 . . . . 0.0 109.346 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.565 ' HB3' ' CD1' ' A' ' 82' ' ' PHE . 26.6 Cg_exo -62.14 -11.28 21.24 Favored 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 124.343 3.362 . . . . 0.0 109.59 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.0 ttt180 -96.51 -47.76 5.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.2 t -48.19 -43.78 12.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.446 ' N ' ' OD1' ' A' ' 78' ' ' ASN . 0.3 OUTLIER -97.45 138.47 34.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.148 . . . . 0.0 109.325 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 21.2 p -86.06 -0.15 54.87 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.12 . . . . 0.0 110.434 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.19 47.45 1.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.49 ' CB ' ' HA ' ' A' ' 75' ' ' PRO . 54.4 mmt-85 -136.69 -94.24 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.565 ' CD1' ' HB3' ' A' ' 75' ' ' PRO . 2.0 m-30 -67.3 67.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.429 ' N ' ' O ' ' A' ' 81' ' ' ARG . 90.0 m -98.15 -60.0 1.64 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.098 . . . . 0.0 110.404 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -87.5 122.96 31.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.261 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.48 ' CG2' ' O ' ' A' ' 85' ' ' ILE . 8.9 tt -102.34 58.13 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.093 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -150.18 -50.96 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -88.44 -1.89 58.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -83.76 -26.82 7.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -72.74 -50.25 25.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.291 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -64.26 -47.88 77.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.432 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 4.5 mm-40 -55.3 -20.36 11.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.285 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.574 ' CE1' HMA3 ' A' ' 125' ' ' HEC . 0.1 OUTLIER -85.95 -29.89 23.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 110.994 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.474 ' CG2' ' OD2' ' A' ' 103' ' ' ASP . 0.9 OUTLIER -86.01 -40.16 16.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.378 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.2 mmtp -64.77 -32.06 73.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.493 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.4 t60 -65.62 -59.73 3.65 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.749 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . 0.434 ' C ' ' O ' ' A' ' 102' ' ' ALA . 2.6 m -54.52 -25.04 23.24 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.543 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.469 ' HA ' ' N ' ' A' ' 102' ' ' ALA . 1.7 m-80 -78.18 -15.65 58.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.3 -1.21 15.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.493 HG13 ' CE1' ' A' ' 95' ' ' HIS . 26.7 mm -113.77 -57.03 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.261 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 43.3 mt -91.85 -21.27 20.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.0 109.261 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.439 ' HA2' ' CG ' ' A' ' 42' ' ' PRO . . . 95.87 11.65 54.51 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.53 1.144 . . . . 0.0 111.026 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.469 ' N ' ' HA ' ' A' ' 97' ' ' ASN . . . -162.38 -168.5 1.87 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.474 ' OD2' ' CG2' ' A' ' 93' ' ' THR . 14.1 t0 -94.87 125.54 39.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 45.7 m -65.02 163.13 15.32 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.613 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.463 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 16.1 t -77.93 150.05 77.72 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 109.981 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 105' ' ' SER . 16.1 Cg_exo -66.75 -12.83 37.51 Favored 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.358 3.372 . . . . 0.0 109.599 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 76.7 p -89.63 -43.14 10.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.979 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.558 ' OE2' ' CZ ' ' A' ' 34' ' ' PHE . 10.2 pt-20 -69.83 -5.68 27.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.589 1.181 . . . . 0.0 110.285 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.429 ' C ' ' N ' ' A' ' 111' ' ' ASN . 8.4 mmtp -96.5 -66.81 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.462 ' CB ' ' HB2' ' A' ' 12' ' ' TYR . . . -43.97 -27.19 0.34 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 0.0 109.328 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.429 ' N ' ' C ' ' A' ' 109' ' ' LYS . 0.3 OUTLIER -73.77 -54.8 7.23 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.593 ' CE2' HD23 ' A' ' 116' ' ' LEU . 39.3 t80 -54.51 -45.85 73.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.105 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.451 ' CG2' HG21 ' A' ' 9' ' ' VAL . 1.6 mt -53.58 -39.88 39.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 117' ' ' LEU . . . -64.14 -64.99 0.74 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.566 ' CE1' ' HG2' ' A' ' 32' ' ' LYS . 1.3 t80 -45.81 -37.41 6.07 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.975 -1.011 . . . . 0.0 109.822 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.593 HD23 ' CE2' ' A' ' 112' ' ' PHE . 0.9 OUTLIER -68.98 -37.05 78.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.474 ' O ' ' CD1' ' A' ' 117' ' ' LEU . 1.1 pp -93.12 24.14 3.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.3 m -123.22 -80.09 0.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.392 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -86.59 75.72 9.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 110.24 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 7.6 p -98.13 58.68 1.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.389 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 11.0 mtpt -134.84 147.7 64.02 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.257 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -78.23 167.58 22.99 Favored 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.278 3.319 . . . . 0.0 109.593 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 9.2 m -155.38 56.14 0.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.379 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' HEC . . . . . 0.574 HMA3 ' CE1' ' A' ' 92' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.776 ' H1 ' ' HB2' ' A' ' 4' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 97.5 t -59.39 -34.58 54.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.254 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 53.6 m -82.13 9.2 9.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 110.416 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.776 ' HB2' ' H1 ' ' A' ' 1' ' ' ASP . 1.5 m-80 -118.72 -65.83 1.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.25 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 4' ' ' ASN . . . -39.33 -43.47 1.17 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.573 1.171 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -53.81 -48.67 69.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 4' ' ' ASN . 0.0 OUTLIER -59.12 -52.57 65.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.462 ' HG ' ' CD1' ' A' ' 85' ' ' ILE . 12.5 mt -49.5 -45.16 46.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.467 HG22 ' CD2' ' A' ' 117' ' ' LEU . 49.0 t -62.93 -53.01 52.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.34 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -66.17 -10.34 40.37 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.833 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 7' ' ' LYS . 0.5 OUTLIER -94.61 -73.71 0.57 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -48.02 -24.61 1.12 Allowed 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.831 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.442 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 40.8 m -76.08 -49.36 17.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 110.435 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -61.16 -54.46 44.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.6 mt -46.75 -48.19 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.05 -54.6 44.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.413 ' HA ' ' O ' ' A' ' 20' ' ' ASN . 78.2 t60 -57.54 -30.43 65.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.586 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.2 t -70.94 -18.98 62.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.948 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -96.54 -39.95 9.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.357 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.413 ' O ' ' HA ' ' A' ' 17' ' ' HIS . 0.4 OUTLIER -140.95 125.19 10.47 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.27 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -68.89 -4.06 12.66 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.284 3.323 . . . . 0.0 109.569 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 3.5 mmt -79.21 -43.79 23.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.469 ' CE1' ' HB2' ' A' ' 107' ' ' SER . 23.4 t80 -79.2 126.55 30.9 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.85 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -123.5 -44.58 2.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -161.84 156.54 19.53 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -64.55 178.03 1.9 Allowed 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.284 3.322 . . . . 0.0 109.592 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.5 16.82 1.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.044 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.402 ' O ' ' OG1' ' A' ' 29' ' ' THR . 36.1 pt 42.52 54.1 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.49 ' CG2' ' O ' ' A' ' 29' ' ' THR . 3.2 m -163.08 38.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 110.389 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -144.61 -47.22 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' A' ' 35' ' ' PHE . . . -48.96 -54.68 13.52 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.45 1.094 . . . . 0.0 111.03 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.563 ' HB3' ' CE2' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -45.04 -73.1 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 0.76 . . . . 0.0 109.304 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.3 mt -46.99 -53.13 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -57.0 -17.67 10.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.99 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.472 ' N ' ' O ' ' A' ' 31' ' ' GLY . 81.3 t80 -106.93 11.12 30.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 0.0 110.984 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -143.0 23.42 1.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -104.2 108.94 20.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.331 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.1 ttmm -63.83 96.7 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.495 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 25.2 p90 -100.01 163.69 12.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.1 tttp -105.41 140.62 38.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 39.0 p -93.87 153.13 41.01 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.132 . . . . 0.0 110.384 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -68.39 -2.78 9.71 Favored 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.377 3.385 . . . . 0.0 109.609 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 p -106.59 22.41 15.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.985 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 54.63 81.68 0.06 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.512 1.133 . . . . 0.0 111.006 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.7 tttt 171.43 108.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 0.782 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.56 153.32 39.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -163.98 177.47 8.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.495 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -155.53 152.79 29.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.442 ' CB ' ' CD1' ' A' ' 35' ' ' PHE . 62.3 m -65.18 -13.15 57.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 108.295 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.469 ' O ' ' HA ' ' A' ' 54' ' ' THR . . . -102.19 6.11 40.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.501 ' OG ' ' CMC' ' A' ' 125' ' ' HEC . 88.2 p -77.2 -28.8 54.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 110.019 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 86.1 m -117.71 -44.8 2.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 108.284 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.516 ' O ' ' OG1' ' A' ' 54' ' ' THR . 86.6 m-70 -86.69 14.59 6.78 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.785 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.516 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 40.6 p 50.18 172.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.369 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.404 ' HA ' ' CB ' ' A' ' 50' ' ' ALA . 11.2 p30 -53.67 -24.37 14.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -132.49 129.38 21.43 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.447 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 86.0 Cg_endo -73.42 -43.09 0.73 Allowed 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.295 3.33 . . . . 0.0 109.591 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.41 ' HA ' ' CB ' ' A' ' 74' ' ' ALA . . . -54.85 -18.14 4.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 109.351 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -89.85 172.83 8.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 40.8 t -70.49 135.74 27.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.132 . . . . 0.0 109.246 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.401 ' HA3' HG22 ' A' ' 54' ' ' THR . . . -110.4 -174.8 20.56 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.46 1.1 . . . . 0.0 110.999 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.5 tttt -166.31 135.0 2.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.769 . . . . 0.0 109.292 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -94.12 134.44 36.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.5 pt -84.75 13.1 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.328 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 78.5 t -88.85 -60.03 2.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.2 p -113.43 -28.03 7.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 110.391 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 83.51 53.03 3.53 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.501 1.125 . . . . 0.0 110.999 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.516 ' O ' ' C ' ' A' ' 69' ' ' GLU . 7.6 ttmt -111.28 98.77 7.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.516 ' C ' ' O ' ' A' ' 68' ' ' LYS . 1.2 pm0 -28.87 100.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.431 1.082 . . . . 0.0 110.356 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.46 HG12 ' O ' ' A' ' 68' ' ' LYS . 3.7 mm -77.54 134.13 66.32 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.271 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 72' ' ' PRO . 60.0 Cg_endo -71.61 150.75 57.52 Favored 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.332 3.354 . . . . 0.0 109.553 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.41 ' C ' ' O ' ' A' ' 71' ' ' PRO . 72.4 Cg_exo -32.75 137.75 0.06 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.339 3.359 . . . . 0.0 109.565 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.523 ' O ' ' CD1' ' A' ' 73' ' ' LEU . 0.2 OUTLIER -93.22 -28.27 16.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.468 ' C ' ' O ' ' A' ' 73' ' ' LEU . . . -34.66 96.9 0.11 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.542 ' HB3' ' CD1' ' A' ' 82' ' ' PHE . 16.6 Cg_exo -67.22 53.4 0.46 Allowed 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.342 3.361 . . . . 0.0 109.607 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.408 ' N ' ' O ' ' A' ' 74' ' ' ALA . 9.7 ttm180 -168.7 -51.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 110.29 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 38.4 t -46.32 -41.02 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.473 ' N ' ' OD1' ' A' ' 78' ' ' ASN . 0.2 OUTLIER -111.39 142.07 44.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -78.97 -6.5 56.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 110.367 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.44 ' O ' ' NH1' ' A' ' 81' ' ' ARG . 0.4 OUTLIER -97.72 45.5 1.03 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.44 ' NH1' ' O ' ' A' ' 80' ' ' LYS . 17.9 mmt-85 -141.89 162.6 35.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 110.309 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.542 ' CD1' ' HB3' ' A' ' 75' ' ' PRO . 3.1 m-30 39.62 67.84 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.95 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 10.7 m -89.8 -67.52 0.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.361 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -81.75 92.39 6.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.252 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.462 ' CD1' ' HG ' ' A' ' 8' ' ' LEU . 8.8 tt -72.14 -4.71 5.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.348 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -97.55 -21.03 17.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 90' ' ' ASP . 5.2 ttmt -102.05 -50.57 3.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.362 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -43.92 -26.91 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.421 ' N ' ' C ' ' A' ' 87' ' ' LYS . 2.2 tm-20 -70.46 -46.73 63.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 0.0 110.311 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 87' ' ' LYS . 23.0 m-20 -70.88 -46.44 62.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 3.4 mm-40 -54.79 -18.72 5.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.115 . . . . 0.0 110.291 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.695 ' CZ ' ' CMA' ' A' ' 125' ' ' HEC . 0.2 OUTLIER -81.15 -24.52 37.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.998 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -89.35 -29.95 18.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.4 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.6 -33.78 53.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.342 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.585 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.4 t60 -66.0 -59.25 4.0 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 114.99 -1.004 . . . . 0.0 109.759 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . 0.419 ' C ' ' O ' ' A' ' 102' ' ' ALA . 11.9 m -56.35 -23.66 38.93 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.568 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.445 ' HA ' ' N ' ' A' ' 102' ' ' ALA . 1.7 m-80 -82.24 -12.29 58.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -117.9 5.92 12.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.585 HG13 ' CE1' ' A' ' 95' ' ' HIS . 25.0 mm -122.57 -51.42 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 74.6 mt -97.19 -29.21 13.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.262 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 106.86 9.79 29.66 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.483 1.115 . . . . 0.0 110.993 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.445 ' N ' ' HA ' ' A' ' 97' ' ' ASN . . . -168.21 -173.89 2.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 0.778 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -85.46 125.34 32.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 57.3 m -61.04 161.31 8.62 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.599 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.471 ' HB2' ' CG ' ' A' ' 108' ' ' GLU . 4.5 m -68.79 144.5 96.02 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.035 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -63.61 -21.46 70.32 Favored 'Trans proline' 0 N--CA 1.446 -1.283 0 C-N-CA 124.334 3.356 . . . . 0.0 109.599 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.469 ' HB2' ' CE1' ' A' ' 23' ' ' TYR . 72.0 p -85.79 -36.74 19.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.986 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.471 ' CG ' ' HB2' ' A' ' 105' ' ' SER . 4.5 mm-40 -70.5 -9.95 57.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.312 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.607 ' HD2' ' CD1' ' A' ' 92' ' ' PHE . 2.4 tppt? -90.66 -65.38 1.02 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.261 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -49.55 -22.05 1.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.269 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.415 ' N ' ' C ' ' A' ' 109' ' ' LYS . 0.2 OUTLIER -80.0 -51.3 9.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.593 ' CE2' HD13 ' A' ' 116' ' ' LEU . 40.7 t80 -58.07 -46.12 85.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 110.972 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.431 HG21 ' CG2' ' A' ' 9' ' ' VAL . 1.4 mt -57.52 -38.22 62.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.82 -62.79 1.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.563 ' CE2' ' HB3' ' A' ' 32' ' ' LYS . 1.1 t80 -50.37 -31.59 15.15 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.852 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.593 HD13 ' CE2' ' A' ' 112' ' ' PHE . 10.5 mt -71.8 -40.02 69.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.467 ' CD2' HG22 ' A' ' 9' ' ' VAL . 1.7 pp -91.17 20.75 4.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 27.4 m -118.3 -65.73 1.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.396 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -95.31 107.49 19.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 110.292 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 3.1 p -131.79 54.67 1.91 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.396 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 22.0 mttp -131.17 99.75 17.51 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.262 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.91 153.38 25.43 Favored 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.355 3.37 . . . . 0.0 109.615 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 9.8 t -155.09 56.5 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.09 . . . . 0.0 110.412 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 1.008 ' OXT' ' HE3' ' A' ' 124' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' HEC . . . . . 0.695 ' CMA' ' CZ ' ' A' ' 92' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 19.2 m . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.368 -0.234 . . . . 0.0 110.368 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.479 ' HB3' ' CG1' ' A' ' 85' ' ' ILE . 0.4 OUTLIER -77.82 -48.36 16.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.255 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -49.67 -48.78 49.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -64.53 -34.21 77.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -63.93 -49.68 71.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.8 mt -51.86 -51.94 53.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.722 HG21 HD21 ' A' ' 117' ' ' LEU . 95.7 t -53.49 -51.56 40.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -71.54 -6.98 44.68 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.838 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 7' ' ' LYS . 4.8 tppt? -96.28 -71.76 0.66 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.638 ' HB2' ' HB2' ' A' ' 110' ' ' ALA . 85.5 m-85 -50.67 -23.55 2.71 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.801 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.497 ' CG2' ' O ' ' A' ' 24' ' ' GLU . 18.7 m -74.36 -42.42 59.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.396 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -65.3 -52.53 53.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.343 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.7 mt -51.38 -51.32 24.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.99 -56.2 22.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.232 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -54.23 -33.21 57.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.622 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 39.5 t -70.81 -16.49 62.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.006 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -105.34 -37.59 6.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -136.49 94.1 13.84 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_exo -46.93 -22.76 2.16 Favored 'Trans proline' 0 N--CA 1.446 -1.265 0 C-N-CA 124.336 3.358 . . . . 0.0 109.593 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -65.51 -44.28 87.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -75.32 119.02 18.86 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.023 -0.99 . . . . 0.0 109.805 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.497 ' O ' ' CG2' ' A' ' 13' ' ' THR . 1.7 mt-10 -118.84 -44.53 2.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.553 ' HB1' ' HD2' ' A' ' 26' ' ' PRO . . . -132.8 164.94 40.2 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.553 ' HD2' ' HB1' ' A' ' 25' ' ' ALA . 65.5 Cg_endo -91.33 -169.15 0.28 Allowed 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.329 3.353 . . . . 0.0 109.626 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 40.5 t -151.07 172.98 14.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.973 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.513 ' O ' ' CE2' ' A' ' 115' ' ' TYR . 7.7 pt -121.66 29.99 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.262 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.46 ' O ' HG22 ' A' ' 29' ' ' THR . 20.8 m -132.64 6.38 4.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.411 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.447 ' CB ' ' OD1' ' A' ' 111' ' ' ASN . 1.0 OUTLIER -112.59 -25.59 9.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.794 ' N ' HD21 ' A' ' 111' ' ' ASN . . . -79.68 54.66 4.41 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.436 1.085 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.21 -66.55 0.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 0.729 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.455 ' CG2' ' HD3' ' A' ' 37' ' ' ARG . 33.7 mt -59.99 -50.57 79.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -53.97 -21.64 8.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.538 ' CD1' ' HB2' ' A' ' 49' ' ' CYS . 86.4 t80 -109.08 6.04 24.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.467 1.104 . . . . 0.0 110.99 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.404 ' OD1' ' O ' ' A' ' 35' ' ' PHE . 76.4 m-20 -140.21 22.62 2.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.455 ' HD3' ' CG2' ' A' ' 33' ' ' ILE . 1.5 ttp85 -105.15 104.11 13.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.286 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -56.42 96.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.528 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 25.9 p90 -100.02 164.45 11.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.87 147.48 28.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.401 ' HB ' ' HD2' ' A' ' 42' ' ' PRO . 33.5 p -103.19 153.99 37.99 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.381 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.791 ' HG3' ' HA3' ' A' ' 101' ' ' GLY . 68.9 Cg_endo -65.51 -6.1 12.92 Favored 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 124.328 3.352 . . . . 0.0 109.594 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 p -104.26 34.82 2.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.998 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 43.0 80.96 0.04 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.54 1.15 . . . . 0.0 110.98 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.4 ' O ' HG23 ' A' ' 41' ' ' THR . 1.7 tttp 172.49 124.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.467 0.746 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.34 154.11 27.97 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.143 . . . . 0.0 110.263 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -163.5 176.76 9.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.528 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -155.38 152.56 29.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.538 ' HB2' ' CD1' ' A' ' 35' ' ' PHE . 57.8 m -65.29 -12.62 53.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 108.294 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.442 ' HB1' ' HA ' ' A' ' 55' ' ' ASN . . . -102.49 6.13 39.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.342 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 94.8 p -76.33 -29.69 57.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.944 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 71.4 m -118.1 -45.44 2.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 108.25 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.518 ' O ' ' OG1' ' A' ' 54' ' ' THR . 77.4 m-70 -84.69 14.57 4.55 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.063 -0.971 . . . . 0.0 109.721 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.518 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 49.4 p 50.27 172.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.417 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.442 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 8.6 p30 -53.31 -24.87 12.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -131.05 125.13 20.99 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.242 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.526 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 60.9 Cg_endo -70.48 -41.2 3.53 Favored 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.302 3.335 . . . . 0.0 109.587 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.43 -16.97 6.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -88.69 176.37 7.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.557 HG22 ' HD3' ' A' ' 72' ' ' PRO . 53.7 t -79.54 120.67 31.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.508 ' HA2' HG23 ' A' ' 54' ' ' THR . . . -84.08 -168.52 44.03 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.485 1.115 . . . . 0.0 110.977 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.14 120.69 0.98 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 0.779 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.931 ' ND2' HD11 ' A' ' 70' ' ' ILE . 84.5 m-20 -76.83 129.75 36.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.107 . . . . 0.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 6.4 pt -85.69 9.05 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.344 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 53.6 t -91.28 -55.46 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 68.2 p -107.42 -33.29 7.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 110.384 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 77.82 36.84 31.45 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.433 1.083 . . . . 0.0 110.984 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -81.97 -94.44 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 0.756 . . . . 0.0 109.26 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -177.99 123.13 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.355 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.931 HD11 ' ND2' ' A' ' 63' ' ' ASN . 1.8 mm -112.81 97.88 42.99 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.422 ' HB3' ' HD2' ' A' ' 72' ' ' PRO . 86.9 Cg_exo -48.94 167.83 0.12 Allowed 'Trans proline' 0 N--CA 1.448 -1.193 0 C-N-CA 124.315 3.343 . . . . 0.0 109.578 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.557 ' HD3' HG22 ' A' ' 60' ' ' VAL . 68.7 Cg_exo -37.76 131.46 0.77 Allowed 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.282 3.322 . . . . 0.0 109.633 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 75' ' ' PRO . 4.1 tp -87.84 -31.01 19.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.648 ' HB3' ' HB ' ' A' ' 77' ' ' VAL . . . -37.89 98.42 0.16 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.601 ' HB3' ' CD1' ' A' ' 82' ' ' PHE . 26.2 Cg_exo -62.85 -18.25 63.72 Favored 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 124.316 3.344 . . . . 0.0 109.61 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -94.01 -40.57 10.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.648 ' HB ' ' HB3' ' A' ' 74' ' ' ALA . 41.2 t -59.96 -39.99 81.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.447 ' N ' ' OD1' ' A' ' 78' ' ' ASN . 0.4 OUTLIER -93.92 134.65 36.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 19.3 p -82.25 -7.13 59.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.378 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.82 43.72 1.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.352 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.499 ' CB ' ' HA ' ' A' ' 75' ' ' PRO . 50.6 mmt-85 -145.25 172.27 13.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.601 ' CD1' ' HB3' ' A' ' 75' ' ' PRO . 1.6 m-30 36.44 64.76 0.51 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 110.987 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 24.5 m -101.51 -64.26 1.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.39 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -79.38 149.06 31.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 109.329 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.479 ' CG1' ' HB3' ' A' ' 4' ' ' ASN . 2.8 mp -107.84 -45.95 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -45.62 -67.77 0.25 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.441 1.088 . . . . 0.0 109.324 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.448 ' C ' ' N ' ' A' ' 89' ' ' GLU . 0.2 OUTLIER -52.84 -63.88 1.0 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.257 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 87' ' ' LYS . 1.2 t -40.15 -30.13 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.448 ' N ' ' C ' ' A' ' 87' ' ' LYS . 5.4 tt0 -80.01 53.65 1.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.339 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 30.1 t0 178.39 -50.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 4.2 mm-40 -54.34 -20.63 7.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.307 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.578 ' CD1' ' HD2' ' A' ' 109' ' ' LYS . 0.1 OUTLIER -81.85 -30.91 31.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 111.008 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.1 m -84.55 -36.37 22.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.43 1.081 . . . . 0.0 110.404 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.3 mmpt? -68.16 -31.98 71.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.578 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.3 t60 -64.9 -58.68 5.51 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.766 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.414 ' C ' ' O ' ' A' ' 102' ' ' ALA . 4.5 m -55.91 -22.79 27.78 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.603 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.434 ' HA ' ' N ' ' A' ' 102' ' ' ALA . 1.9 m-80 -83.16 -13.19 56.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.67 6.35 13.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.578 HG13 ' CE1' ' A' ' 95' ' ' HIS . 19.8 mm -121.71 -51.63 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.689 HD12 ' SG ' ' A' ' 104' ' ' CYS . 78.3 mt -97.62 -29.04 13.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.791 ' HA3' ' HG3' ' A' ' 42' ' ' PRO . . . 105.96 12.02 26.83 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.555 1.159 . . . . 0.0 110.985 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.434 ' N ' ' HA ' ' A' ' 97' ' ' ASN . . . -168.17 -173.17 1.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 0.749 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -87.64 125.94 34.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.689 ' SG ' HD12 ' A' ' 100' ' ' LEU . 58.3 m -63.14 160.24 15.8 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.605 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' SER . . . . . 0.478 ' HB2' ' CG ' ' A' ' 108' ' ' GLU . 1.9 m -67.85 149.19 98.34 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.992 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -65.97 -23.49 54.16 Favored 'Trans proline' 0 N--CA 1.446 -1.269 0 C-N-CA 124.334 3.356 . . . . 0.0 109.63 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.83 -8.53 51.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.993 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.478 ' CG ' ' HB2' ' A' ' 105' ' ' SER . 3.9 mm-40 -94.65 -13.89 25.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.293 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.578 ' HD2' ' CD1' ' A' ' 92' ' ' PHE . 2.6 tppt? -86.59 -59.3 2.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.638 ' HB2' ' HB2' ' A' ' 12' ' ' TYR . . . -52.18 -24.71 7.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.794 HD21 ' N ' ' A' ' 31' ' ' GLY . 0.8 OUTLIER -71.62 -54.87 9.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.684 ' CE2' HD11 ' A' ' 116' ' ' LEU . 45.9 t80 -59.51 -45.57 91.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 111.042 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.701 ' O ' HD23 ' A' ' 117' ' ' LEU . 1.7 mt -55.59 -35.96 40.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -65.02 -66.78 0.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.513 ' CE2' ' O ' ' A' ' 28' ' ' ILE . 0.2 OUTLIER -50.56 -34.4 25.52 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.814 -179.93 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.684 HD11 ' CE2' ' A' ' 112' ' ' PHE . 7.6 mt -70.54 -36.92 73.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.874 HD12 ' O ' ' A' ' 117' ' ' LEU . 1.7 pp -96.8 28.39 3.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 6.9 m . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.379 -179.971 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 48.6 m . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.553 0.216 . . . . 0.0 110.436 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -78.45 -47.76 16.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.594 ' HB1' HD22 ' A' ' 117' ' ' LEU . . . -44.19 -46.87 9.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -60.54 -47.56 85.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -59.08 -46.68 87.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.261 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.616 HD11 HG21 ' A' ' 88' ' ' VAL . 8.6 mt -53.27 -52.18 59.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.78 HG21 HD21 ' A' ' 117' ' ' LEU . 75.4 t -56.11 -49.36 76.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.092 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -74.32 -3.01 27.66 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.778 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 7' ' ' LYS . 3.4 mmmt -100.2 -72.79 0.66 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.756 ' HB2' ' HB2' ' A' ' 110' ' ' ALA . 87.3 m-85 -50.23 -22.84 1.91 Allowed 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.834 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.425 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 19.6 m -74.95 -42.59 57.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.431 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -64.44 -51.1 64.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.1 mt -52.9 -46.32 52.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.53 -50.79 72.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -58.14 -31.88 67.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.09 . . . . 0.0 109.604 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.2 t -72.02 -17.37 62.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 0.0 109.976 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -104.37 -35.92 7.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -137.42 93.4 12.79 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo -47.89 -22.11 3.1 Favored 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.305 3.336 . . . . 0.0 109.573 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -66.87 -43.05 84.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 111.045 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -75.45 117.27 17.06 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 114.944 -1.026 . . . . 0.0 109.808 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -117.09 -43.6 2.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.11 . . . . 0.0 110.273 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.554 ' HB1' ' HD2' ' A' ' 26' ' ' PRO . . . -132.06 168.03 19.53 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.346 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.554 ' HD2' ' HB1' ' A' ' 25' ' ' ALA . 89.1 Cg_endo -93.26 175.31 1.6 Allowed 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 124.318 3.345 . . . . 0.0 109.574 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.28 135.58 37.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.996 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.784 HG22 ' O ' ' A' ' 28' ' ' ILE . 3.7 mt -92.6 38.16 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.552 ' O ' HG22 ' A' ' 29' ' ' THR . 49.5 m -148.47 34.68 0.79 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 110.36 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -137.23 -49.94 0.62 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.467 ' O ' ' CB ' ' A' ' 35' ' ' PHE . . . -39.08 -37.54 0.67 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.517 1.136 . . . . 0.0 111.063 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.516 ' HG2' ' CZ ' ' A' ' 115' ' ' TYR . 0.4 OUTLIER -51.98 -72.16 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 0.723 . . . . 0.0 109.26 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 15.7 mt -46.84 -57.01 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -54.88 -17.77 4.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.132 . . . . 0.0 111.008 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.559 ' CD1' ' HB2' ' A' ' 49' ' ' CYS . 87.5 t80 -111.62 3.88 18.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 32' ' ' LYS . 67.4 m-20 -139.97 24.06 2.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.344 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -104.28 98.46 8.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.132 . . . . 0.0 110.271 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -51.66 94.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.574 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 25.9 p90 -100.15 162.88 12.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 110.97 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.9 mttt -107.11 145.64 32.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.095 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.457 HG23 ' O ' ' A' ' 45' ' ' LYS . 28.7 p -100.14 153.25 37.86 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.423 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.75 ' HG3' ' HA3' ' A' ' 101' ' ' GLY . 60.9 Cg_endo -64.6 -8.21 16.71 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.276 3.317 . . . . 0.0 109.623 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.6 p -101.94 33.68 2.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.029 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 42.07 77.41 0.08 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.509 1.131 . . . . 0.0 111.042 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.457 ' O ' HG23 ' A' ' 41' ' ' THR . 0.1 OUTLIER 178.68 112.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 0.779 . . . . 0.0 109.255 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -69.22 152.74 44.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 110.312 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -163.8 177.52 8.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.574 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -158.07 156.49 31.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.559 ' HB2' ' CD1' ' A' ' 35' ' ' PHE . 34.8 m -70.76 -8.26 51.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 108.297 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.438 ' HA ' ' O ' ' A' ' 54' ' ' THR . . . -106.53 4.05 27.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.404 ' HB2' ' O ' ' A' ' 48' ' ' ALA . 0.3 OUTLIER -83.54 -18.43 38.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.117 . . . . 0.0 110.021 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 53.9 m -124.22 -45.2 1.98 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 108.302 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.509 ' O ' ' OG1' ' A' ' 54' ' ' THR . 73.8 m-70 -92.36 17.37 9.94 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.741 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.541 HG23 ' HA2' ' A' ' 61' ' ' GLY . 71.7 p 50.26 170.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 110.411 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.408 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 13.6 p30 -54.35 -20.09 6.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -133.13 124.27 18.34 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.466 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 66.6 Cg_endo -71.12 -47.17 0.57 Allowed 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 124.327 3.352 . . . . 0.0 109.61 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.28 -19.08 2.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.358 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.401 ' N ' ' C ' ' A' ' 57' ' ' PRO . 12.5 t-20 -86.55 173.69 9.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 78.6 t -74.69 122.14 27.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.541 ' HA2' HG23 ' A' ' 54' ' ' THR . . . -92.75 -177.58 41.06 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.528 1.142 . . . . 0.0 111.041 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 59.8 tttt -159.85 133.34 7.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 0.754 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.903 ' ND2' HD11 ' A' ' 70' ' ' ILE . 92.0 m-20 -83.98 130.88 34.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.347 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 7.1 pt -85.16 7.2 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 57.8 t -88.81 -54.81 7.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 70.0 p -107.4 -34.4 7.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.398 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 81.51 33.25 28.59 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.555 1.159 . . . . 0.0 111.035 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.6 mmtp -79.08 -94.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 0.775 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -179.47 123.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.903 HD11 ' ND2' ' A' ' 63' ' ' ASN . 2.6 mm -112.34 99.28 46.25 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.348 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.407 ' HB3' ' HD2' ' A' ' 72' ' ' PRO . 85.7 Cg_exo -49.0 167.08 0.14 Allowed 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.304 3.336 . . . . 0.0 109.601 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.407 ' HD2' ' HB3' ' A' ' 71' ' ' PRO . 64.9 Cg_exo -37.18 132.05 0.52 Allowed 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.287 3.325 . . . . 0.0 109.615 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 74' ' ' ALA . 6.3 tp -86.91 -28.83 22.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.511 ' HB3' ' HB ' ' A' ' 77' ' ' VAL . . . -39.28 113.41 0.82 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.491 ' HA ' ' CB ' ' A' ' 81' ' ' ARG . 54.3 Cg_endo -72.8 -4.11 14.78 Favored 'Trans proline' 0 N--CA 1.448 -1.168 0 C-N-CA 124.281 3.321 . . . . 0.0 109.567 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.4 ttt180 -106.34 -51.77 2.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.311 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.511 ' HB ' ' HB3' ' A' ' 74' ' ' ALA . 7.6 t -45.72 -42.82 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.443 ' N ' ' OD1' ' A' ' 78' ' ' ASN . 0.4 OUTLIER -95.63 141.44 29.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.536 1.148 . . . . 0.0 109.272 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.7 p -89.23 1.25 55.97 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 110.41 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.18 46.11 1.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.491 ' CB ' ' HA ' ' A' ' 75' ' ' PRO . 60.3 mmt-85 -143.26 168.74 19.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.28 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.475 ' CG ' ' HB2' ' A' ' 75' ' ' PRO . 2.7 m-30 36.6 62.78 0.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.949 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.705 HG22 ' O ' ' A' ' 83' ' ' THR . 3.4 m -124.94 44.63 2.74 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 110.392 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.435 ' C ' ' N ' ' A' ' 86' ' ' ASP . 44.8 t0 -174.86 79.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 6.1 mt -41.12 -28.96 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.34 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.435 ' N ' ' C ' ' A' ' 84' ' ' ASP . 15.2 m-20 -66.53 -68.63 0.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 88' ' ' VAL . 3.1 ttmm -41.08 -47.09 3.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.616 HG21 HD11 ' A' ' 8' ' ' LEU . 2.1 t -38.06 -58.27 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.46 80.53 6.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 110.278 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.0 t70 176.69 -66.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 0.0 109.303 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.484 ' HG3' ' N ' ' A' ' 92' ' ' PHE . 9.4 pt-20 -64.86 -38.46 91.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.575 ' CD1' ' HD2' ' A' ' 109' ' ' LYS . 0.1 OUTLIER -59.57 -26.66 65.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 111.01 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.496 HG23 ' CG ' ' A' ' 103' ' ' ASP . 1.3 m -87.79 -41.31 13.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.385 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.68 -29.83 69.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.529 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.4 t60 -66.68 -58.83 4.33 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.791 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.419 ' C ' ' O ' ' A' ' 102' ' ' ALA . 12.5 m -57.27 -24.1 52.61 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.579 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.418 ' HA ' ' N ' ' A' ' 102' ' ' ALA . 2.0 m-80 -82.74 -12.4 57.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.264 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.67 8.28 11.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.529 HG13 ' CE1' ' A' ' 95' ' ' HIS . 20.0 mm -124.49 -43.13 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.469 HD12 ' SG ' ' A' ' 104' ' ' CYS . 56.5 mt -106.82 -31.57 8.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.75 ' HA3' ' HG3' ' A' ' 42' ' ' PRO . . . 108.43 11.71 22.97 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.523 1.139 . . . . 0.0 111.039 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 96' ' ' CYS . . . -166.35 -173.89 2.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 0.785 . . . . 0.0 109.341 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.496 ' CG ' HG23 ' A' ' 93' ' ' THR . 14.0 t0 -89.67 126.03 35.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.469 ' SG ' HD12 ' A' ' 100' ' ' LEU . 56.2 m -62.12 160.9 11.87 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.613 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 23.3 t -74.77 142.99 77.65 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.989 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -59.12 -17.7 39.95 Favored 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.337 3.358 . . . . 0.0 109.593 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 60.4 p -86.17 -42.14 14.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.013 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -68.36 -11.84 60.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.575 ' HD2' ' CD1' ' A' ' 92' ' ' PHE . 2.7 tppp? -87.21 -62.95 1.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.756 ' HB2' ' HB2' ' A' ' 12' ' ' TYR . . . -51.96 -20.91 2.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -76.37 -49.95 15.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -62.92 -44.9 94.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.59 ' O ' HD23 ' A' ' 117' ' ' LEU . 1.5 mt -53.66 -38.64 35.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -66.02 -62.77 1.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.516 ' CZ ' ' HG2' ' A' ' 32' ' ' LYS . 1.1 t80 -48.67 -32.5 8.44 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.809 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' A' ' 116' ' ' LEU . 1.0 OUTLIER -74.45 -42.29 59.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.89 HD12 ' O ' ' A' ' 117' ' ' LEU . 1.6 pp -91.98 33.32 1.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.581 1.176 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.442 HG21 HG21 ' A' ' 28' ' ' ILE . 57.0 m . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.356 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 23.5 m . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.479 ' HB3' ' CG1' ' A' ' 85' ' ' ILE . 0.4 OUTLIER -76.74 -47.3 22.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.418 1.074 . . . . 0.0 109.256 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.798 ' O ' HG23 ' A' ' 9' ' ' VAL . . . -54.57 -44.45 72.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -65.17 -36.64 84.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.264 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -52.21 64.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.714 HD21 HG23 ' A' ' 85' ' ' ILE . 5.0 mt -51.1 -49.67 60.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.337 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.798 HG23 ' O ' ' A' ' 5' ' ' ALA . 42.2 t -53.17 -51.69 37.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -72.81 -4.71 33.31 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.843 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -97.9 -72.72 0.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.794 ' HB2' ' HB2' ' A' ' 110' ' ' ALA . 93.9 m-85 -50.61 -22.7 2.14 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 114.997 -1.002 . . . . 0.0 109.889 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.427 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 8.8 m -72.3 -40.77 67.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.165 . . . . 0.0 110.425 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.92 -52.94 53.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.9 mt -51.58 -48.84 35.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.76 -58.11 8.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.411 ' HA ' ' O ' ' A' ' 20' ' ' ASN . 70.0 t60 -58.13 -31.02 66.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.602 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 47.9 t -70.64 -14.66 62.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.971 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -100.85 -42.75 6.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.411 ' O ' ' HA ' ' A' ' 17' ' ' HIS . 34.5 m-20 -141.25 128.69 11.9 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -67.18 -6.51 16.35 Favored 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.345 3.363 . . . . 0.0 109.624 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.8 mmt -75.19 -45.28 41.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 110.986 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -78.98 123.42 27.27 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.816 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -120.53 -45.41 2.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.11 . . . . 0.0 110.331 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.646 ' HB1' ' CD ' ' A' ' 26' ' ' PRO . . . -133.89 175.25 3.82 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.646 ' CD ' ' HB1' ' A' ' 25' ' ' ALA . 6.7 Cg_exo -75.25 -167.45 0.43 Allowed 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.308 3.339 . . . . 0.0 109.57 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 32.3 t -160.09 160.78 33.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.018 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 7.3 pt -126.86 53.71 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.718 ' O ' HG22 ' A' ' 29' ' ' THR . 3.5 m -162.21 35.82 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.435 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -143.99 -49.46 0.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' A' ' 35' ' ' PHE . . . -38.88 -52.63 2.55 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 110.951 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -46.44 -74.02 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 0.757 . . . . 0.0 109.282 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 15.4 mt -45.5 -58.6 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -54.17 -18.15 3.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.537 ' CD1' ' CB ' ' A' ' 49' ' ' CYS . 87.0 t80 -110.23 2.75 19.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 111.017 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 32' ' ' LYS . 79.4 m-20 -140.99 28.37 1.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.462 ' O ' ' N ' ' A' ' 39' ' ' PHE . 35.9 ttt85 -106.51 90.73 3.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.355 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.4 ttmm -44.5 95.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.587 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 31.9 p90 -104.12 162.51 13.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.137 . . . . 0.0 110.961 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.58 134.33 52.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.495 HG23 ' O ' ' A' ' 45' ' ' LYS . 19.8 p -84.16 154.54 63.59 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.41 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.867 ' HG3' ' HA3' ' A' ' 101' ' ' GLY . 47.7 Cg_endo -61.32 -9.68 13.58 Favored 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 124.254 3.302 . . . . 0.0 109.606 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 p -102.8 35.06 2.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.987 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 43.2 80.33 0.05 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.486 1.116 . . . . 0.0 110.981 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.495 ' O ' HG23 ' A' ' 41' ' ' THR . 0.3 OUTLIER -175.22 123.13 0.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 0.775 . . . . 0.0 109.295 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -83.38 124.91 31.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.273 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.58 -174.36 3.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.587 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -166.52 154.81 10.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.537 ' CB ' ' CD1' ' A' ' 35' ' ' PHE . 35.4 m -70.44 -8.12 48.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 108.304 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.457 ' HA ' ' O ' ' A' ' 54' ' ' THR . . . -106.4 3.05 26.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.406 ' HB2' ' O ' ' A' ' 48' ' ' ALA . 0.5 OUTLIER -83.44 -16.17 46.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.006 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 21.2 m -126.23 -43.23 1.8 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 108.315 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.511 ' O ' ' OG1' ' A' ' 54' ' ' THR . 79.0 m-70 -95.26 18.86 11.58 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 114.999 -1.001 . . . . 0.0 109.784 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.511 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 49.9 p 50.25 170.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.402 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.442 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 9.6 p30 -52.18 -24.97 7.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.118 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -129.92 127.2 22.73 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.502 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 73.2 Cg_endo -71.08 -43.19 1.68 Allowed 'Trans proline' 0 N--CA 1.448 -1.202 0 C-N-CA 124.333 3.356 . . . . 0.0 109.585 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.407 ' HA ' ' HB2' ' A' ' 74' ' ' ALA . . . -55.09 -18.13 5.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 0.0 109.273 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -86.91 176.19 7.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 51.0 t -77.94 124.5 36.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.414 ' HA2' HG23 ' A' ' 54' ' ' THR . . . -91.89 -169.33 41.15 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.514 1.134 . . . . 0.0 111.002 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.466 ' CG ' ' O ' ' A' ' 68' ' ' LYS . 6.9 ttpt 176.1 131.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 0.749 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -83.01 133.73 35.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.0 pt -83.65 6.92 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 61.5 t -84.63 -49.53 15.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 72.2 p -107.78 -32.78 7.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 110.411 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 88.68 45.16 4.98 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.455 1.097 . . . . 0.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.466 ' O ' ' CG ' ' A' ' 62' ' ' LYS . 0.6 OUTLIER -98.04 -161.56 0.88 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 0.752 . . . . 0.0 109.326 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.469 ' N ' ' CD ' ' A' ' 69' ' ' GLU . 1.2 pm0 -131.73 101.29 5.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.297 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.2 mm -83.59 115.43 59.44 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.404 ' HB3' ' HD2' ' A' ' 72' ' ' PRO . 76.6 Cg_exo -50.02 166.0 0.3 Allowed 'Trans proline' 0 N--CA 1.448 -1.196 0 C-N-CA 124.307 3.338 . . . . 0.0 109.576 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.404 ' HD2' ' HB3' ' A' ' 71' ' ' PRO . 1.3 Cg_endo -42.37 126.55 3.94 Favored 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.311 3.341 . . . . 0.0 109.577 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 75' ' ' PRO . 6.4 tp -81.96 -33.86 30.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.279 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.58 ' HB3' ' HB ' ' A' ' 77' ' ' VAL . . . -37.73 97.8 0.14 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.491 ' HA ' ' CB ' ' A' ' 81' ' ' ARG . 24.4 Cg_exo -63.55 -17.14 58.69 Favored 'Trans proline' 0 N--CA 1.447 -1.265 0 C-N-CA 124.338 3.359 . . . . 0.0 109.609 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.99 -46.09 7.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.326 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.58 ' HB ' ' HB3' ' A' ' 74' ' ' ALA . 15.3 t -54.13 -41.76 52.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.458 ' N ' ' OD1' ' A' ' 78' ' ' ASN . 0.4 OUTLIER -93.69 133.04 37.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 21.2 p -81.31 -7.39 59.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.427 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.93 43.82 1.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.491 ' CB ' ' HA ' ' A' ' 75' ' ' PRO . 51.6 mmt-85 -144.64 170.52 15.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.366 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.489 ' CD1' ' HB3' ' A' ' 75' ' ' PRO . 2.0 m-30 39.09 64.9 0.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 88.8 m -102.34 -61.39 1.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.424 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -85.11 110.23 18.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.272 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.714 HG23 HD21 ' A' ' 8' ' ' LEU . 2.8 mp -69.95 -42.41 79.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.72 -57.67 5.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.451 ' C ' ' N ' ' A' ' 89' ' ' GLU . 0.7 OUTLIER -57.41 -66.17 0.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.627 HG11 HD11 ' A' ' 8' ' ' LEU . 1.2 t -39.93 -30.19 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.451 ' N ' ' C ' ' A' ' 87' ' ' LYS . 1.1 tm-20 -81.06 61.97 4.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.289 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.405 ' CG ' ' O ' ' A' ' 89' ' ' GLU . 1.7 m-20 167.08 -46.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.234 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.453 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 3.6 mm-40 -57.44 -16.62 9.92 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.527 1.142 . . . . 0.0 110.252 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.571 ' CD1' ' HD2' ' A' ' 109' ' ' LYS . 0.1 OUTLIER -88.09 -23.02 23.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.5 HG23 ' CG ' ' A' ' 103' ' ' ASP . 1.2 m -89.43 -39.58 13.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.403 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -68.13 -29.79 68.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.582 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.2 t60 -68.33 -59.25 3.33 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.775 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.418 ' C ' ' O ' ' A' ' 102' ' ' ALA . 7.7 m -55.9 -23.99 34.78 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.342 -0.844 . . . . 0.0 109.564 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.408 ' HA ' ' N ' ' A' ' 102' ' ' ALA . 1.8 m-20 -82.12 -13.33 57.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.257 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -117.18 4.78 12.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.582 HG13 ' CE1' ' A' ' 95' ' ' HIS . 36.3 mm -120.82 -50.6 3.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.57 HD12 ' SG ' ' A' ' 104' ' ' CYS . 52.7 mt -98.24 -25.18 14.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.867 ' HA3' ' HG3' ' A' ' 42' ' ' PRO . . . 99.13 13.87 37.95 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 96' ' ' CYS . . . -164.91 -172.41 2.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 0.778 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.5 ' CG ' HG23 ' A' ' 93' ' ' THR . 14.5 t0 -93.08 122.53 35.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.359 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.57 ' SG ' HD12 ' A' ' 100' ' ' LEU . 35.8 m -59.37 162.24 4.92 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.031 -0.986 . . . . 0.0 109.531 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 6.7 t -78.39 141.41 61.38 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 109.997 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_endo -57.14 -15.65 18.8 Favored 'Trans proline' 0 N--CA 1.447 -1.257 0 C-N-CA 124.329 3.352 . . . . 0.0 109.585 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 60.1 p -85.57 -43.21 13.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.968 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -70.8 -9.9 58.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 110.245 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.571 ' HD2' ' CD1' ' A' ' 92' ' ' PHE . 0.6 OUTLIER -86.28 -62.65 1.47 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.349 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.794 ' HB2' ' HB2' ' A' ' 12' ' ' TYR . . . -56.47 -18.37 11.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 109.254 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -77.17 -52.36 9.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.254 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.718 ' CE2' HD22 ' A' ' 116' ' ' LEU . 57.0 t80 -61.53 -43.16 99.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.575 1.172 . . . . 0.0 110.985 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.547 HG22 HG22 ' A' ' 9' ' ' VAL . 1.4 mt -53.7 -34.44 24.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 118' ' ' THR . . . -71.15 -69.82 0.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -41.05 -27.66 0.07 Allowed 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 114.999 -1.001 . . . . 0.0 109.81 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.718 HD22 ' CE2' ' A' ' 112' ' ' PHE . 0.3 OUTLIER -79.61 -48.29 14.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.145 . . . . 0.0 109.331 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.884 HD12 ' O ' ' A' ' 117' ' ' LEU . 1.0 OUTLIER -85.72 12.9 7.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.266 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 114' ' ' ALA . 6.8 m . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.367 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.1 m . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.359 -0.237 . . . . 0.0 110.359 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.783 ' HB3' HD12 ' A' ' 85' ' ' ILE . 0.5 OUTLIER -78.24 -47.64 17.51 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.103 . . . . 0.0 109.28 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -49.65 -49.98 45.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -59.72 -44.87 93.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.112 . . . . 0.0 110.307 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 11' ' ' LYS . 1.7 mmtt -57.1 -47.91 79.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.672 HD21 ' CG1' ' A' ' 85' ' ' ILE . 9.9 mt -53.29 -53.5 49.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.667 HG21 HD21 ' A' ' 117' ' ' LEU . 93.2 t -59.08 -37.74 69.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -79.28 -6.71 57.3 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.864 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 14' ' ' ASN . 4.5 mmtt -102.73 -72.34 0.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.738 ' CB ' ' HB2' ' A' ' 110' ' ' ALA . 80.8 m-85 -46.14 -24.36 0.44 Allowed 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.807 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.42 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 11.6 m -73.33 -37.86 65.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.364 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 11' ' ' LYS . 4.5 m-80 -66.44 -52.31 47.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.5 mt -52.33 -51.73 30.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.85 -57.46 9.28 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -57.28 -33.33 67.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.615 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 39.7 t -72.59 -8.21 54.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 110.031 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -112.78 -42.73 3.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.282 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -134.85 96.41 14.71 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_exo -44.51 -24.74 1.16 Allowed 'Trans proline' 0 N--CA 1.447 -1.257 0 C-N-CA 124.324 3.349 . . . . 0.0 109.615 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 3.5 mtt -60.65 -45.24 94.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.968 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -75.95 118.08 18.34 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.82 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -114.72 -44.56 3.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.584 ' HB1' ' CD ' ' A' ' 26' ' ' PRO . . . -136.79 172.88 6.23 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.165 . . . . 0.0 109.28 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.584 ' CD ' ' HB1' ' A' ' 25' ' ' ALA . 1.4 Cg_endo -85.58 -173.76 1.44 Allowed 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.287 3.325 . . . . 0.0 109.605 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.2 t -154.8 162.64 41.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.992 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.0 pt -118.23 48.47 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.294 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.67 ' O ' HG22 ' A' ' 29' ' ' THR . 14.1 m -160.78 36.82 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.42 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' A' ' 30' ' ' ASP . 0.0 OUTLIER -142.39 -46.14 0.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.086 . . . . 0.0 109.343 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 35' ' ' PHE . . . -49.09 -45.79 33.51 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.483 1.114 . . . . 0.0 111.005 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.494 ' HB3' ' CZ ' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -49.23 -51.13 35.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 0.79 . . . . 0.0 109.283 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.2 mt -62.91 -59.06 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.32 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -55.71 -16.44 4.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.585 ' CD1' ' HB2' ' A' ' 49' ' ' CYS . 89.6 t80 -111.03 4.05 19.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.42 ' OD1' ' O ' ' A' ' 35' ' ' PHE . 75.7 m-20 -140.42 24.24 2.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.356 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -106.87 100.31 9.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.34 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.6 ttmt -52.2 95.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.573 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 26.3 p90 -100.53 163.97 12.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -108.46 143.0 38.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 45' ' ' LYS . 25.3 p -96.69 153.4 38.74 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 110.417 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.754 ' HG3' ' HA3' ' A' ' 101' ' ' GLY . 61.2 Cg_endo -64.57 -7.95 15.91 Favored 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.321 3.347 . . . . 0.0 109.602 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 p -99.52 32.53 2.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.566 1.166 . . . . 0.0 109.971 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 46.31 72.32 0.41 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.412 ' O ' HG23 ' A' ' 41' ' ' THR . 11.0 ttpp -176.43 135.73 0.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 0.744 . . . . 0.0 109.292 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -91.38 151.73 20.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.322 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -163.0 -179.93 7.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.573 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -159.04 155.48 27.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.585 ' HB2' ' CD1' ' A' ' 35' ' ' PHE . 29.3 m -70.5 -8.52 51.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 108.298 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.45 ' HA ' ' O ' ' A' ' 54' ' ' THR . . . -105.41 2.83 29.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.408 ' HB2' ' O ' ' A' ' 48' ' ' ALA . 0.3 OUTLIER -82.57 -16.67 47.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.112 . . . . 0.0 110.025 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 68.2 m -125.95 -45.86 1.71 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.153 . . . . 0.0 108.297 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.506 ' O ' ' O ' ' A' ' 54' ' ' THR . 59.1 m-70 -92.68 18.54 8.62 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 114.975 -1.011 . . . . 0.0 109.783 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.506 ' O ' ' O ' ' A' ' 53' ' ' HIS . 36.5 p 49.55 171.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 110.389 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -52.48 -21.7 4.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -134.82 126.24 17.78 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.883 ' HB3' HD23 ' A' ' 73' ' ' LEU . 69.4 Cg_endo -70.56 -43.57 1.93 Allowed 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.301 3.334 . . . . 0.0 109.584 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.2 -18.67 4.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -89.23 171.24 9.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 73.0 t -71.07 135.83 27.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.253 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -110.24 -176.12 20.82 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.46 1.1 . . . . 0.0 110.938 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.3 tttt -161.02 133.99 6.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 0.743 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.651 ' ND2' HD11 ' A' ' 70' ' ' ILE . 80.7 m-20 -80.56 126.37 31.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.6 pt -84.51 7.42 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 55.4 t -86.61 -56.17 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.1 p -111.79 -33.42 6.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.43 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 84.33 40.03 8.73 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.485 1.116 . . . . 0.0 111.024 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.453 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 1.4 tppp? -77.83 -92.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 0.77 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.453 ' HB3' ' O ' ' A' ' 68' ' ' LYS . 13.0 pt-20 176.35 120.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.651 HD11 ' ND2' ' A' ' 63' ' ' ASN . 2.2 mm -111.61 127.86 26.26 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -77.63 167.49 24.04 Favored 'Trans proline' 0 N--CA 1.447 -1.221 0 C-N-CA 124.292 3.328 . . . . 0.0 109.594 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_exo -36.89 131.85 0.44 Allowed 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 124.323 3.349 . . . . 0.0 109.555 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.883 HD23 ' HB3' ' A' ' 57' ' ' PRO . 6.6 tp -82.57 -30.73 29.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.643 ' HA ' HD12 ' A' ' 116' ' ' LEU . . . -39.99 99.63 0.2 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.632 ' HB3' ' CD1' ' A' ' 82' ' ' PHE . 24.6 Cg_exo -62.94 -11.35 24.11 Favored 'Trans proline' 0 N--CA 1.448 -1.181 0 C-N-CA 124.312 3.342 . . . . 0.0 109.581 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.1 ttp85 -97.95 -45.63 6.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 110.278 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.496 ' HB ' ' HB3' ' A' ' 74' ' ' ALA . 19.6 t -48.32 -42.92 11.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.492 ' OD1' HG12 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -102.48 149.26 24.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.26 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.402 ' O ' ' OG1' ' A' ' 83' ' ' THR . 25.1 p -81.92 -45.4 15.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 110.382 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -72.14 59.27 0.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 49.6 mmt-85 -143.56 -90.98 0.12 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.55 1.157 . . . . 0.0 110.317 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.632 ' CD1' ' HB3' ' A' ' 75' ' ' PRO . 2.3 m-30 -80.46 48.54 1.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.97 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 79' ' ' THR . 32.0 m -87.85 -10.46 50.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.405 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.587 ' O ' HG23 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -130.67 117.61 19.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 109.339 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.783 HD12 ' HB3' ' A' ' 4' ' ' ASN . 7.4 tt -90.21 9.72 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.02 -76.89 0.44 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.467 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 3.3 tttt -48.01 -25.99 1.61 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.163 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 84' ' ' ASP . 1.4 t -41.21 -53.72 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -86.42 75.24 9.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 110.259 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -174.96 -71.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.482 ' HG3' ' N ' ' A' ' 92' ' ' PHE . 8.7 pt-20 -57.9 -35.65 71.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.576 ' CD1' ' HD2' ' A' ' 109' ' ' LYS . 0.1 OUTLIER -61.45 -30.23 70.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 110.947 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.563 HG23 ' CG ' ' A' ' 103' ' ' ASP . 1.1 m -85.65 -36.96 19.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.377 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.34 -28.63 65.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.551 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.3 t60 -67.14 -59.11 3.73 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.793 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.403 ' C ' ' O ' ' A' ' 102' ' ' ALA . 9.6 m -57.15 -23.26 46.16 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.617 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.451 ' HA ' ' N ' ' A' ' 102' ' ' ALA . 1.9 m-80 -81.76 -12.75 58.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.8 8.69 11.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.431 1.082 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.551 HG13 ' CE1' ' A' ' 95' ' ' HIS . 45.1 mm -126.01 -43.9 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.723 HD12 ' SG ' ' A' ' 104' ' ' CYS . 50.8 mt -105.18 -30.77 9.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.754 ' HA3' ' HG3' ' A' ' 42' ' ' PRO . . . 108.36 10.34 25.78 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.537 1.148 . . . . 0.0 110.983 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.451 ' N ' ' HA ' ' A' ' 97' ' ' ASN . . . -169.13 -175.85 2.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 0.73 . . . . 0.0 109.293 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.563 ' CG ' HG23 ' A' ' 93' ' ' THR . 9.9 t0 -85.9 124.68 32.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.723 ' SG ' HD12 ' A' ' 100' ' ' LEU . 56.2 m -61.0 160.81 9.26 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.584 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 29.2 t -71.73 143.76 87.5 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 0.0 110.0 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -57.31 -20.42 39.38 Favored 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 124.351 3.368 . . . . 0.0 109.589 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 60.1 p -81.32 -40.86 22.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.997 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -66.92 -18.71 65.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.321 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.576 ' HD2' ' CD1' ' A' ' 92' ' ' PHE . 1.2 tppp? -81.51 -59.19 2.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.738 ' HB2' ' CB ' ' A' ' 12' ' ' TYR . . . -56.63 -17.77 9.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.408 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 0.2 OUTLIER -81.86 -53.01 6.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.319 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.769 ' CZ ' HD21 ' A' ' 116' ' ' LEU . 77.0 t80 -57.2 -46.55 82.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 0.0 111.028 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.5 ' O ' HD23 ' A' ' 117' ' ' LEU . 1.5 mt -53.91 -34.49 25.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 111' ' ' ASN . . . -69.65 -65.51 0.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.494 ' CZ ' ' HB3' ' A' ' 32' ' ' LYS . 0.9 OUTLIER -49.66 -29.95 8.2 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.805 -179.912 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.769 HD21 ' CZ ' ' A' ' 112' ' ' PHE . 2.3 mm? -74.85 -44.12 50.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.743 HD12 ' O ' ' A' ' 117' ' ' LEU . 1.6 pp -86.37 10.15 15.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 24.1 m . . . . . 0 C--N 1.324 -0.534 0 O-C-N 124.54 1.15 . . . . 0.0 110.39 179.992 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.6 m . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.435 -0.209 . . . . 0.0 110.435 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -106.01 -67.09 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.259 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.781 ' O ' HG23 ' A' ' 9' ' ' VAL . . . -43.04 -32.76 0.71 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -70.01 -44.78 68.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 4' ' ' ASN . 0.1 OUTLIER -57.87 -47.28 83.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.411 HD11 ' CG1' ' A' ' 88' ' ' VAL . 6.2 mt -54.5 -53.4 54.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.26 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.781 HG23 ' O ' ' A' ' 5' ' ' ALA . 62.1 t -54.36 -53.01 33.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -71.33 -2.7 17.22 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.014 -0.993 . . . . 0.0 109.827 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 7' ' ' LYS . 26.7 mmtt -101.4 -72.96 0.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.735 ' CB ' ' HB2' ' A' ' 110' ' ' ALA . 92.4 m-85 -50.48 -22.06 1.76 Allowed 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.823 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.44 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 27.9 m -76.28 -45.7 31.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 110.397 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.423 ' O ' ' N ' ' A' ' 18' ' ' SER . 2.1 m120 -60.79 -51.11 70.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.4 mt -53.8 -46.22 62.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.07 -40.91 95.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.342 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.464 ' ND1' ' O ' ' A' ' 23' ' ' TYR . 13.8 t60 -71.23 -31.15 67.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.102 . . . . 0.0 109.658 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 14' ' ' ASN . 31.6 t -70.88 -16.68 62.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.102 . . . . 0.0 110.017 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -101.96 -31.06 10.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.259 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -141.87 114.03 6.49 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -77.2 48.55 2.56 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.283 3.322 . . . . 0.0 109.601 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 24.7 ptt? -151.54 39.08 0.64 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 111.047 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.464 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 51.3 t80 -150.49 122.47 8.21 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.816 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -101.0 -45.57 5.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.669 ' HB1' ' CD ' ' A' ' 26' ' ' PRO . . . -167.14 175.99 1.89 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.252 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.669 ' CD ' ' HB1' ' A' ' 25' ' ' ALA . 23.7 Cg_exo -68.69 -172.97 0.51 Allowed 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.326 3.351 . . . . 0.0 109.584 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.14 21.57 1.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.986 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 44.7 pt 43.91 49.56 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 109.324 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 92.5 m -127.94 -62.87 1.04 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.132 . . . . 0.0 110.431 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.511 ' HB2' ' ND2' ' A' ' 111' ' ' ASN . 0.2 OUTLIER -43.84 -37.16 2.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.582 ' O ' ' CD2' ' A' ' 115' ' ' TYR . . . -69.22 58.94 0.59 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.485 1.116 . . . . 0.0 111.023 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.479 ' HG2' ' CZ ' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -161.67 -62.02 0.05 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.537 0.787 . . . . 0.0 109.304 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 22.7 mt -76.81 -49.3 23.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.613 ' CZ ' ' CD ' ' A' ' 108' ' ' GLU . 32.0 t80 -54.9 -19.83 7.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.604 ' CD1' ' CB ' ' A' ' 49' ' ' CYS . 87.0 t80 -109.23 4.09 22.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.424 ' OD1' ' O ' ' A' ' 35' ' ' PHE . 82.0 m-20 -142.21 27.89 1.73 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.418 1.074 . . . . 0.0 109.27 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 39' ' ' PHE . 2.3 tpm_? -105.11 94.47 5.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -45.41 94.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.589 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 25.6 p90 -107.51 158.24 17.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.976 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.89 139.89 41.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.423 ' HB ' ' HD2' ' A' ' 42' ' ' PRO . 30.0 p -87.95 154.78 52.72 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.428 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.781 ' HG3' ' HA3' ' A' ' 101' ' ' GLY . 44.9 Cg_endo -60.91 -7.98 8.76 Favored 'Trans proline' 0 N--CA 1.448 -1.202 0 C-N-CA 124.313 3.342 . . . . 0.0 109.604 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -102.21 32.49 3.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.021 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 45.8 79.6 0.06 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.56 1.162 . . . . 0.0 110.985 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 20.4 ttpt -174.88 129.46 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 0.742 . . . . 0.0 109.327 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -88.93 124.17 33.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.245 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -136.89 -171.07 2.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.589 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -171.72 154.33 3.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.107 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.604 ' CB ' ' CD1' ' A' ' 35' ' ' PHE . 22.0 m -70.69 -8.14 49.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 108.311 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.44 ' HA ' ' O ' ' A' ' 54' ' ' THR . . . -106.5 4.61 28.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.401 ' HB2' ' O ' ' A' ' 48' ' ' ALA . 0.3 OUTLIER -83.92 -20.17 33.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.964 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.412 ' HA ' ' O ' ' A' ' 62' ' ' LYS . 85.8 m -123.69 -47.73 1.94 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 108.248 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.51 ' O ' ' OG1' ' A' ' 54' ' ' THR . 56.6 m-70 -89.49 16.46 7.62 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 115.034 -0.984 . . . . 0.0 109.709 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.51 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 51.4 p 50.07 170.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 110.388 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -52.52 -25.71 11.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -129.01 124.76 22.56 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 109.313 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.462 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 60.2 Cg_endo -70.58 -37.97 6.58 Favored 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.301 3.334 . . . . 0.0 109.6 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.559 ' HA ' ' HB2' ' A' ' 74' ' ' ALA . . . -60.45 -14.22 18.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -91.61 173.66 7.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.336 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.3 t -75.5 121.86 28.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.478 ' HA2' HG23 ' A' ' 54' ' ' THR . . . -92.19 -174.85 42.2 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.536 1.147 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 52' ' ' CYS . 3.9 ttpm? -161.71 135.34 6.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 0.795 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.912 ' ND2' HD11 ' A' ' 70' ' ' ILE . 89.1 m-20 -85.24 131.28 34.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.3 pt -85.36 6.75 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 64.6 t -88.13 -52.33 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 76.7 p -109.46 -33.46 6.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 110.375 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 80.93 36.46 21.89 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.522 1.139 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.403 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 0.2 OUTLIER -83.63 -95.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 0.743 . . . . 0.0 109.264 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.403 ' HB3' ' O ' ' A' ' 68' ' ' LYS . 11.3 pt-20 -179.21 122.88 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.912 HD11 ' ND2' ' A' ' 63' ' ' ASN . 2.6 mm -109.39 106.7 58.94 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.41 ' HB2' ' NH2' ' A' ' 81' ' ' ARG . 78.4 Cg_exo -49.62 165.13 0.29 Allowed 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.29 3.327 . . . . 0.0 109.628 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.403 ' HD2' ' HB3' ' A' ' 71' ' ' PRO . 0.9 OUTLIER -41.61 127.44 3.38 Favored 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.306 3.338 . . . . 0.0 109.649 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 75' ' ' PRO . 5.3 tp -84.41 -28.46 26.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.275 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.559 ' HB2' ' HA ' ' A' ' 58' ' ' ALA . . . -37.1 96.51 0.11 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.618 ' HB3' ' CD1' ' A' ' 82' ' ' PHE . 21.9 Cg_exo -67.01 54.13 0.44 Allowed 'Trans proline' 0 N--CA 1.448 -1.187 0 C-N-CA 124.306 3.337 . . . . 0.0 109.568 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 10.0 ttt180 -166.05 -53.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.275 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 14.3 t -44.6 -41.92 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.456 ' N ' ' OD1' ' A' ' 78' ' ' ASN . 0.4 OUTLIER -92.01 153.09 19.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.2 p -93.49 3.46 55.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.38 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.76 45.16 2.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.41 ' NH2' ' HB2' ' A' ' 71' ' ' PRO . 28.9 mmt-85 -146.24 145.79 30.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 110.267 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.618 ' CD1' ' HB3' ' A' ' 75' ' ' PRO . 0.4 OUTLIER 56.34 44.39 24.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 111.033 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.745 HG22 ' O ' ' A' ' 83' ' ' THR . 1.4 m -121.88 58.71 1.01 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 110.39 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 85' ' ' ILE . 37.4 p-10 177.36 66.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.412 ' C ' ' O ' ' A' ' 84' ' ' ASP . 7.2 mt -39.48 -47.98 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.257 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -41.05 -57.98 1.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -101.16 98.01 8.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 109.262 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.411 ' CG1' HD11 ' A' ' 8' ' ' LEU . 0.5 OUTLIER 173.82 -34.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.155 . . . . 0.0 109.309 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -72.15 -46.82 54.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 110.295 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -74.75 -45.4 44.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -53.94 -20.75 6.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.345 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.583 ' CD1' ' HD2' ' A' ' 109' ' ' LYS . 0.1 OUTLIER -85.74 -25.23 26.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.459 HG23 ' OD2' ' A' ' 103' ' ' ASP . 1.0 OUTLIER -89.06 -30.49 18.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.427 1.08 . . . . 0.0 110.435 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.5 mmtt -76.67 -32.76 58.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.249 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.589 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.5 t60 -66.79 -58.54 4.85 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.019 -0.992 . . . . 0.0 109.75 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 41.5 m -56.45 -25.96 52.27 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.566 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.426 ' HA ' ' N ' ' A' ' 102' ' ' ALA . 1.6 m-80 -80.32 -12.3 59.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.89 7.67 12.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.589 HG13 ' CE1' ' A' ' 95' ' ' HIS . 47.3 mm -124.69 -45.59 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.255 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.429 ' O ' ' CD ' ' A' ' 42' ' ' PRO . 47.1 mt -103.66 -28.69 11.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.781 ' HA3' ' HG3' ' A' ' 42' ' ' PRO . . . 104.78 10.51 32.6 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.435 1.085 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.426 ' N ' ' HA ' ' A' ' 97' ' ' ASN . . . -164.2 -174.24 3.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 0.746 . . . . 0.0 109.306 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.459 ' OD2' HG23 ' A' ' 93' ' ' THR . 13.4 t0 -88.26 124.57 34.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.227 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 14.5 m -54.13 164.19 0.68 Allowed 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.605 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' SER . . . . . 0.495 ' O ' ' HG3' ' A' ' 108' ' ' GLU . 23.2 t -76.9 144.11 71.97 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.982 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.405 ' HD2' ' OG ' ' A' ' 105' ' ' SER . 66.8 Cg_endo -64.29 -10.08 22.36 Favored 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.288 3.325 . . . . 0.0 109.643 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 63.1 p -100.42 -46.91 5.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.013 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.613 ' CD ' ' CZ ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -66.9 -8.46 29.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.583 ' HD2' ' CD1' ' A' ' 92' ' ' PHE . 2.3 tppp? -92.63 -64.48 1.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.735 ' HB2' ' CB ' ' A' ' 12' ' ' TYR . . . -47.04 -25.06 0.74 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.511 ' ND2' ' HB2' ' A' ' 30' ' ' ASP . 8.3 t-20 -73.53 -58.13 3.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.885 ' CE2' HD11 ' A' ' 116' ' ' LEU . 45.8 t80 -51.53 -43.26 62.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 111.023 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.644 ' O ' HD23 ' A' ' 117' ' ' LEU . 1.8 mt -55.21 -34.28 32.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 117' ' ' LEU . . . -70.86 -65.86 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.582 ' CD2' ' O ' ' A' ' 31' ' ' GLY . 0.6 OUTLIER -44.37 -31.65 1.11 Allowed 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.863 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.885 HD11 ' CE2' ' A' ' 112' ' ' PHE . 16.9 mt -74.84 -42.2 58.42 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.874 HD12 ' O ' ' A' ' 117' ' ' LEU . 1.1 pp -92.07 28.61 1.82 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 2.4 m . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.428 179.955 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.556 HG23 ' O ' ' A' ' 3' ' ' THR . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.493 ' HA ' HD11 ' A' ' 85' ' ' ILE . 0.1 OUTLIER -105.02 -63.61 1.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.965 ' CB ' HD21 ' A' ' 117' ' ' LEU . . . -37.74 -52.31 1.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -43.85 -46.01 7.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 110.338 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.485 ' HE3' HG21 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -57.83 -55.18 38.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.478 HD22 ' CE2' ' A' ' 12' ' ' TYR . 9.9 mt -47.62 -45.77 27.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.522 HG22 HG22 ' A' ' 113' ' ' ILE . 89.5 t -57.34 -52.18 60.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -74.13 -0.12 15.63 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.837 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.5 tptt -100.87 -72.04 0.69 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.666 ' HB2' ' HB2' ' A' ' 110' ' ' ALA . 90.8 m-85 -53.52 -21.01 5.59 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.814 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.438 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 50.1 m -78.83 -50.49 11.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.442 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -58.72 -54.85 42.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.5 mt -49.18 -49.34 16.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.469 ' O ' ' ND2' ' A' ' 20' ' ' ASN . . . -56.52 -49.98 73.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.47 ' ND1' ' O ' ' A' ' 23' ' ' TYR . 9.8 t60 -61.92 -31.92 72.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.562 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 34.5 t -69.33 -12.26 61.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.117 . . . . 0.0 110.004 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -98.79 -39.29 8.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.504 HD22 ' N ' ' A' ' 20' ' ' ASN . 0.4 OUTLIER -144.89 134.29 11.38 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 0.0 109.311 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -82.37 52.69 4.2 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.289 3.326 . . . . 0.0 109.6 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 24.2 ptm -151.28 40.77 0.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.983 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.47 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 20.9 t80 -152.71 108.25 3.29 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.82 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -91.28 -48.15 7.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 110.278 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.635 ' HB1' ' CD ' ' A' ' 26' ' ' PRO . . . -156.37 175.02 3.45 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.635 ' CD ' ' HB1' ' A' ' 25' ' ' ALA . 7.0 Cg_exo -75.01 -170.09 0.73 Allowed 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.346 3.364 . . . . 0.0 109.573 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.0 t -137.9 160.8 38.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.003 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.3 pt -115.26 25.81 4.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 64.8 m -149.76 36.55 0.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.39 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 33' ' ' ILE . 7.8 t70 -145.62 -44.91 0.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -47.89 -22.62 2.11 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.471 1.107 . . . . 0.0 110.989 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.482 ' HB3' ' CZ ' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -72.94 -35.75 67.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 0.743 . . . . 0.0 109.268 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 30' ' ' ASP . 31.5 mt -71.3 -55.28 14.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -60.27 -13.33 12.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.52 ' CD1' ' CB ' ' A' ' 49' ' ' CYS . 89.2 t80 -112.33 4.52 17.71 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.095 . . . . 0.0 110.989 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.418 ' OD1' ' O ' ' A' ' 35' ' ' PHE . 73.7 m-20 -140.1 23.48 2.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.5 ttt85 -105.67 98.23 7.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.305 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.8 ttmt -51.61 95.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.245 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.547 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 26.2 p90 -99.12 164.73 12.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.75 148.39 26.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 67.1 p -104.61 154.04 38.76 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.398 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.779 ' HG3' ' HA3' ' A' ' 101' ' ' GLY . 72.3 Cg_endo -67.4 -4.88 12.68 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.304 3.336 . . . . 0.0 109.572 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 p -106.36 27.01 9.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.142 . . . . 0.0 109.998 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.409 ' O ' ' HB2' ' A' ' 45' ' ' LYS . . . 46.3 79.54 0.06 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.491 1.119 . . . . 0.0 110.961 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 44' ' ' GLY . 0.6 OUTLIER 176.31 95.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 0.785 . . . . 0.0 109.291 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.21 154.85 2.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.272 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -165.36 176.48 8.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.363 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.547 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -154.99 154.56 32.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.52 ' CB ' ' CD1' ' A' ' 35' ' ' PHE . 58.7 m -66.83 -10.67 50.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 108.322 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.443 ' HB1' ' HA ' ' A' ' 55' ' ' ASN . . . -105.49 7.01 32.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 91.1 p -76.56 -31.01 57.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.414 1.071 . . . . 0.0 110.011 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 63.9 m -117.17 -45.55 2.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 108.3 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.514 ' O ' ' OG1' ' A' ' 54' ' ' THR . 67.4 m-70 -84.51 13.96 5.02 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.73 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.514 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 74.0 p 50.72 170.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 110.442 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.443 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 5.8 p30 -55.15 -21.64 14.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -130.3 125.05 21.6 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -72.17 -45.34 0.67 Allowed 'Trans proline' 0 N--CA 1.447 -1.245 0 C-N-CA 124.285 3.324 . . . . 0.0 109.625 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.632 ' HA ' ' HB2' ' A' ' 74' ' ' ALA . . . -55.48 -17.95 6.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -85.71 172.73 10.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.251 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 70.3 t -77.29 120.1 27.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 109.325 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.488 ' HA2' HG23 ' A' ' 54' ' ' THR . . . -90.4 -175.85 44.71 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.526 1.142 . . . . 0.0 111.051 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.3 ttmm -159.38 136.91 9.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.429 0.723 . . . . 0.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.932 ' ND2' HD11 ' A' ' 70' ' ' ILE . 86.5 m-20 -87.1 130.8 34.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.261 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.0 pt -84.76 8.14 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 53.4 t -89.8 -53.68 8.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.264 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 77.6 p -108.64 -31.76 7.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.343 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 78.77 37.15 27.05 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.515 1.134 . . . . 0.0 111.025 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.1 mmtt -84.26 -95.32 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 0.774 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -178.71 122.67 0.09 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.123 . . . . 0.0 110.317 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.932 HD11 ' ND2' ' A' ' 63' ' ' ASN . 3.1 mm -108.81 105.65 57.43 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -48.86 164.8 0.21 Allowed 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.333 3.355 . . . . 0.0 109.555 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -42.69 128.75 5.03 Favored 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.294 3.329 . . . . 0.0 109.616 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 75' ' ' PRO . 5.7 tp -85.06 -23.85 28.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.632 ' HB2' ' HA ' ' A' ' 58' ' ' ALA . . . -37.17 97.4 0.13 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.625 ' HB3' ' CD1' ' A' ' 82' ' ' PHE . 21.6 Cg_exo -66.38 55.01 0.4 Allowed 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.333 3.355 . . . . 0.0 109.595 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 74' ' ' ALA . 3.4 ttt180 -169.72 -51.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.319 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 18.2 t -46.22 -42.15 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.478 ' N ' ' OD1' ' A' ' 78' ' ' ASN . 0.2 OUTLIER -97.17 146.33 25.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 19.7 p -80.14 -24.2 40.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.417 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp -93.03 46.37 1.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.117 . . . . 0.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 64.3 mmt-85 -146.27 142.72 28.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.278 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.625 ' CD1' ' HB3' ' A' ' 75' ' ' PRO . 0.8 OUTLIER 53.29 40.47 31.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 111.023 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.729 HG22 ' O ' ' A' ' 83' ' ' THR . 1.4 m -117.8 58.4 0.8 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.372 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 46.2 p-10 176.2 65.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.493 HD11 ' HA ' ' A' ' 4' ' ' ASN . 96.8 mt -41.25 -48.92 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -42.23 -56.7 2.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 11.6 tttt -102.55 92.99 4.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.31 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER 175.85 -35.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.45 -12.99 60.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.299 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -99.55 -48.57 4.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.258 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -55.72 -33.71 64.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.324 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.571 ' CD1' ' HD2' ' A' ' 109' ' ' LYS . 0.1 OUTLIER -66.35 -26.73 67.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 110.991 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.462 HG23 ' CG ' ' A' ' 103' ' ' ASP . 1.2 m -89.69 -34.76 16.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.406 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.04 -29.25 63.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.62 ' CD2' HG13 ' A' ' 99' ' ' ILE . 18.4 t-160 -67.65 -58.11 5.24 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.802 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.412 ' C ' ' O ' ' A' ' 102' ' ' ALA . 5.9 m -55.81 -23.82 32.56 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.588 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.459 ' HA ' ' N ' ' A' ' 102' ' ' ALA . 2.2 m-80 -80.38 -13.69 58.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -117.57 4.21 12.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.62 HG13 ' CD2' ' A' ' 95' ' ' HIS . 20.4 mm -119.05 -49.81 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.669 HD12 ' SG ' ' A' ' 104' ' ' CYS . 50.2 mt -100.41 -26.25 13.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.779 ' HA3' ' HG3' ' A' ' 42' ' ' PRO . . . 103.56 11.34 33.41 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.538 1.149 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.459 ' N ' ' HA ' ' A' ' 97' ' ' ASN . . . -168.8 -174.84 2.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 0.767 . . . . 0.0 109.258 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.462 ' CG ' HG23 ' A' ' 93' ' ' THR . 30.1 t0 -84.71 126.76 33.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.669 ' SG ' HD12 ' A' ' 100' ' ' LEU . 55.0 m -64.69 161.04 18.62 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 114.966 -1.016 . . . . 0.0 109.59 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' SER . . . . . 0.473 ' HB3' ' CG ' ' A' ' 108' ' ' GLU . 33.2 t -66.46 143.73 98.35 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.441 1.088 . . . . 0.0 110.008 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -60.06 -20.39 60.69 Favored 'Trans proline' 0 N--CA 1.447 -1.246 0 C-N-CA 124.332 3.354 . . . . 0.0 109.599 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 64.4 p -88.92 -43.12 11.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.958 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.473 ' CG ' ' HB3' ' A' ' 105' ' ' SER . 9.1 mm-40 -59.05 -15.61 14.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.571 ' HD2' ' CD1' ' A' ' 92' ' ' PHE . 2.4 tppt? -80.64 -65.11 1.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.666 ' HB2' ' HB2' ' A' ' 12' ' ' TYR . . . -53.17 -20.59 4.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -73.87 -37.2 64.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.891 ' CZ ' HD11 ' A' ' 116' ' ' LEU . 40.5 t80 -79.45 -44.74 20.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.967 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.522 HG22 HG22 ' A' ' 9' ' ' VAL . 2.5 mt -54.95 -43.63 69.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 115' ' ' TYR . . . -60.26 -70.11 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.482 ' CZ ' ' HB3' ' A' ' 32' ' ' LYS . 1.5 t80 -38.02 -47.42 1.1 Allowed 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.807 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.891 HD11 ' CZ ' ' A' ' 112' ' ' PHE . 27.5 mt -59.95 -64.75 0.84 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.965 HD21 ' CB ' ' A' ' 5' ' ' ALA . 59.2 mt -41.7 -37.56 1.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.382 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 48.6 m . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.502 ' HB3' ' CG1' ' A' ' 85' ' ' ILE . 0.8 OUTLIER -78.07 -47.41 18.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.506 ' O ' HG23 ' A' ' 9' ' ' VAL . . . -57.01 -48.22 79.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -64.17 -34.96 79.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 110.328 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.8 tptp -63.93 -49.37 72.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.347 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.642 HD21 HG23 ' A' ' 85' ' ' ILE . 10.6 mt -52.31 -50.11 62.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.507 HG21 HD21 ' A' ' 117' ' ' LEU . 59.5 t -55.88 -56.51 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -63.88 -10.35 20.25 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.862 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.421 ' HG3' HD12 ' A' ' 15' ' ' ILE . 23.1 tptt -95.33 -73.81 0.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.755 ' CB ' ' HB2' ' A' ' 110' ' ' ALA . 73.9 m-85 -48.45 -23.72 1.04 Allowed 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.979 -1.009 . . . . 0.0 109.785 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.456 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 54.7 m -77.31 -53.05 8.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.108 . . . . 0.0 110.363 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.409 ' O ' ' N ' ' A' ' 18' ' ' SER . 2.3 t30 -56.58 -56.01 26.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.421 HD12 ' HG3' ' A' ' 11' ' ' LYS . 3.7 mt -47.59 -50.11 9.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.2 -46.97 87.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.27 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.463 ' ND1' ' O ' ' A' ' 23' ' ' TYR . 71.0 t60 -62.7 -31.5 72.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.656 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 14' ' ' ASN . 42.4 t -71.64 -18.47 62.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 110.055 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -100.53 -24.53 14.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.409 ' O ' ' HA ' ' A' ' 17' ' ' HIS . 0.7 OUTLIER -146.65 114.51 4.4 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -78.78 42.92 1.35 Allowed 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 124.291 3.328 . . . . 0.0 109.585 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 4.3 ptt? -145.45 34.33 1.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 111.027 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.463 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 63.3 t80 -153.67 111.4 3.53 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.001 -1.0 . . . . 0.0 109.818 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -91.64 -48.76 6.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.636 ' HB1' ' CD ' ' A' ' 26' ' ' PRO . . . -167.01 174.76 2.4 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.636 ' CD ' ' HB1' ' A' ' 25' ' ' ALA . 7.1 Cg_exo -74.8 -169.16 0.58 Allowed 'Trans proline' 0 N--CA 1.448 -1.193 0 C-N-CA 124.286 3.324 . . . . 0.0 109.569 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.98 22.65 0.57 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.015 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.405 ' HB ' HG21 ' A' ' 118' ' ' THR . 37.8 pt 42.86 36.09 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.352 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.55 ' O ' HG22 ' A' ' 29' ' ' THR . 2.8 m -138.42 11.31 2.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.433 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.29 -33.34 5.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.596 ' O ' ' CD2' ' A' ' 115' ' ' TYR . . . -75.87 56.75 3.08 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.539 1.149 . . . . 0.0 110.96 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.77 -66.72 0.4 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 0.771 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 12.9 mt -63.34 -49.91 80.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.37 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.623 ' CE2' ' OE1' ' A' ' 108' ' ' GLU . 38.4 t80 -56.35 -20.31 18.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.525 ' CE2' ' HD3' ' A' ' 57' ' ' PRO . 86.6 t80 -109.14 5.91 24.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.944 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.41 ' OD1' ' O ' ' A' ' 35' ' ' PHE . 75.3 m-20 -140.21 23.23 2.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.25 105.1 15.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.315 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -57.64 93.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.566 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 24.5 p90 -98.17 163.59 12.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.4 tttm -107.89 142.56 37.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.459 HG23 ' O ' ' A' ' 45' ' ' LYS . 21.5 p -97.52 153.97 38.14 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.43 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.777 ' HG3' ' HA3' ' A' ' 101' ' ' GLY . 60.2 Cg_endo -64.22 -8.17 15.8 Favored 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.271 3.314 . . . . 0.0 109.621 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.8 p -103.17 34.31 2.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.967 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 40.17 79.2 0.05 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.509 1.13 . . . . 0.0 110.993 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.459 ' O ' HG23 ' A' ' 41' ' ' THR . 7.7 tttm 178.44 105.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.771 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.76 152.63 35.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.42 1.075 . . . . 0.0 110.309 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -164.23 178.98 7.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.566 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -158.03 155.26 29.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.53 ' O ' ' HB2' ' A' ' 53' ' ' HIS . 60.8 m -68.91 -10.35 56.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 108.28 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.458 ' HB1' ' HA ' ' A' ' 55' ' ' ASN . . . -106.61 8.72 31.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.2 p -75.79 -37.26 59.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.005 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 28.6 m -113.13 -42.54 3.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 108.303 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.53 ' HB2' ' O ' ' A' ' 49' ' ' CYS . 66.6 m-70 -84.56 12.52 6.88 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.745 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.519 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 41.1 p 50.36 171.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.374 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.458 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 5.4 p30 -52.32 -21.56 3.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -136.31 126.83 16.48 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.332 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.525 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 63.4 Cg_endo -70.29 -44.23 1.82 Allowed 'Trans proline' 0 N--CA 1.447 -1.255 0 C-N-CA 124.35 3.367 . . . . 0.0 109.59 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.485 ' HA ' ' HB2' ' A' ' 74' ' ' ALA . . . -53.75 -18.8 3.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.271 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -87.11 175.7 7.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 109.338 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 77.5 t -75.92 127.85 37.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -100.64 -174.45 29.57 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.476 1.11 . . . . 0.0 110.962 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -163.25 135.7 5.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.758 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.827 ' ND2' HD11 ' A' ' 70' ' ' ILE . 90.1 m-20 -83.9 129.97 34.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 6.8 pt -84.35 6.21 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 60.5 t -87.6 -55.61 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 50.0 p -106.39 -33.78 7.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.396 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 81.88 36.07 19.93 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.469 1.106 . . . . 0.0 110.982 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.1 mmtt -81.98 -95.78 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 0.758 . . . . 0.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -178.85 123.92 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 110.294 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.827 HD11 ' ND2' ' A' ' 63' ' ' ASN . 2.7 mm -113.86 101.49 53.92 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.42 ' HB3' ' HD2' ' A' ' 72' ' ' PRO . 83.2 Cg_exo -49.83 167.38 0.2 Allowed 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.337 3.358 . . . . 0.0 109.583 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.42 ' HD2' ' HB3' ' A' ' 71' ' ' PRO . 68.7 Cg_exo -37.58 135.31 0.49 Allowed 'Trans proline' 0 N--CA 1.447 -1.246 0 C-N-CA 124.275 3.317 . . . . 0.0 109.62 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 75' ' ' PRO . 11.6 tp -91.61 -21.62 20.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.656 ' HB3' ' HB ' ' A' ' 77' ' ' VAL . . . -36.8 98.5 0.16 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.923 ' HD3' HD12 ' A' ' 116' ' ' LEU . 34.3 Cg_exo -61.27 -11.81 20.82 Favored 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.273 3.315 . . . . 0.0 109.621 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 -101.07 -47.96 4.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.656 ' HB ' ' HB3' ' A' ' 74' ' ' ALA . 37.4 t -49.14 -42.45 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.543 ' OD1' HG12 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -107.54 115.75 30.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.125 . . . . 0.0 109.333 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.17 -10.7 24.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 110.407 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.4 mtpt -101.08 35.93 2.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.262 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.604 ' O ' ' CD1' ' A' ' 82' ' ' PHE . 0.8 OUTLIER -147.01 43.06 1.14 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 110.343 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.642 ' CD1' ' HB3' ' A' ' 75' ' ' PRO . 0.3 OUTLIER 162.05 39.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 111.034 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.43 HG22 ' O ' ' A' ' 83' ' ' THR . 64.2 m -111.85 49.91 0.87 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.36 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 63.7 t0 177.45 71.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.642 HG23 HD21 ' A' ' 8' ' ' LEU . 20.7 mt -40.36 -45.29 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -49.47 -54.17 19.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -93.04 81.98 4.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER 178.65 -36.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.12 -37.72 53.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 110.269 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -75.32 -45.54 38.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -57.41 -35.06 69.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 0.0 110.304 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.554 ' CG ' ' HD2' ' A' ' 109' ' ' LYS . 0.1 OUTLIER -66.5 -22.98 66.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 111.003 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.628 HG23 ' OD2' ' A' ' 103' ' ' ASP . 1.2 m -90.0 -38.11 13.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.37 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.6 mmmt -71.15 -30.36 66.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.517 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.4 t60 -68.22 -60.0 2.8 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 114.955 -1.021 . . . . 0.0 109.771 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 102' ' ' ALA . 10.7 m -55.21 -21.8 15.32 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.574 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -85.69 -11.39 53.86 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.435 ' O ' HD13 ' A' ' 99' ' ' ILE . 2.3 t0 -119.05 9.77 11.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.423 1.077 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.517 HG13 ' CE1' ' A' ' 95' ' ' HIS . 48.8 mm -126.53 -46.69 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.44 HD12 ' SG ' ' A' ' 104' ' ' CYS . 70.5 mt -101.95 -32.37 10.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.777 ' HA3' ' HG3' ' A' ' 42' ' ' PRO . . . 107.72 13.53 20.04 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.547 1.154 . . . . 0.0 110.966 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 96' ' ' CYS . . . -166.04 -173.17 2.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 0.762 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.628 ' OD2' HG23 ' A' ' 93' ' ' THR . 6.0 t0 -91.71 124.7 36.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.44 ' SG ' HD12 ' A' ' 100' ' ' LEU . 35.8 m -59.44 162.95 4.39 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.585 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' SER . . . . . 0.472 ' O ' ' HG3' ' A' ' 108' ' ' GLU . 80.8 p -74.51 149.92 86.62 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.991 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -65.92 -8.29 19.38 Favored 'Trans proline' 0 N--CA 1.448 -1.177 0 C-N-CA 124.262 3.308 . . . . 0.0 109.597 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 64.6 p -92.97 -44.26 8.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.022 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.623 ' OE1' ' CE2' ' A' ' 34' ' ' PHE . 1.0 OUTLIER -65.69 -27.12 68.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.752 ' O ' HD12 ' A' ' 113' ' ' ILE . 0.3 OUTLIER -63.69 -60.05 3.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.755 ' HB2' ' CB ' ' A' ' 12' ' ' TYR . . . -55.72 -36.57 67.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' A' ' 114' ' ' ALA . 7.1 t-20 -56.82 -68.52 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.549 ' CE2' ' HG ' ' A' ' 116' ' ' LEU . 52.2 t80 -44.16 -44.75 7.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.896 ' O ' HD23 ' A' ' 117' ' ' LEU . 1.6 mt -55.41 -37.25 44.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.256 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 117' ' ' LEU . . . -65.47 -74.26 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.596 ' CD2' ' O ' ' A' ' 31' ' ' GLY . 0.2 OUTLIER -40.72 -44.64 2.24 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.841 -179.89 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.923 HD12 ' HD3' ' A' ' 75' ' ' PRO . 3.5 mm? -61.4 -44.97 96.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.896 HD23 ' O ' ' A' ' 113' ' ' ILE . 1.0 OUTLIER -91.78 33.59 1.03 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.405 HG21 ' HB ' ' A' ' 28' ' ' ILE . 1.4 m . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.404 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.2 m . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.478 ' HB3' ' CG1' ' A' ' 85' ' ' ILE . 0.3 OUTLIER -80.14 -48.95 12.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.556 ' O ' HG23 ' A' ' 9' ' ' VAL . . . -48.92 -49.32 40.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 -66.52 -30.45 70.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.297 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.744 ' HE3' HG21 ' A' ' 85' ' ' ILE . 0.1 OUTLIER -70.36 -46.36 64.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.445 HD22 ' CE2' ' A' ' 12' ' ' TYR . 12.3 mt -55.88 -46.7 78.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 5' ' ' ALA . 91.5 t -56.94 -55.62 19.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -67.52 -6.09 18.16 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.855 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.404 ' CG ' ' HD3' ' A' ' 7' ' ' LYS . 1.3 mmtm -97.13 -73.67 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.733 ' HB3' ' HB2' ' A' ' 110' ' ' ALA . 84.2 m-85 -50.81 -21.72 1.81 Allowed 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.823 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.461 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 22.0 m -75.56 -47.09 28.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.388 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -61.22 -52.5 64.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.7 mt -52.64 -44.24 45.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.248 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.29 -38.53 87.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 0.0 109.306 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.46 ' ND1' ' O ' ' A' ' 23' ' ' TYR . 12.2 t60 -74.67 -29.65 61.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.14 . . . . 0.0 109.561 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 45.3 t -70.21 -6.32 33.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.999 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -114.86 -43.18 3.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.402 ' OD1' ' HD2' ' A' ' 21' ' ' PRO . 62.2 t-20 -126.65 118.95 22.78 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.402 ' HD2' ' OD1' ' A' ' 20' ' ' ASN . 98.1 Cg_endo -78.87 38.81 0.74 Allowed 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.273 3.315 . . . . 0.0 109.62 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -141.26 34.22 1.7 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 111.002 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.46 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 14.2 t80 -139.61 108.62 6.02 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.811 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -96.61 -48.02 5.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -164.13 153.77 12.34 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -51.33 176.14 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.363 3.375 . . . . 0.0 109.621 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.1 20.58 2.1 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 0.0 110.046 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 32.5 pt 40.8 47.65 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.243 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 30' ' ' ASP . 93.5 m -127.51 -70.39 0.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 110.414 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.466 ' HB2' ' ND2' ' A' ' 111' ' ' ASN . 0.3 OUTLIER -39.9 -33.29 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.583 ' O ' ' CD2' ' A' ' 115' ' ' TYR . . . -76.17 58.55 3.19 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.544 1.153 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.444 ' HG2' ' CZ ' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -157.69 -63.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 0.78 . . . . 0.0 109.348 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 43.7 mt -72.32 -47.78 51.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.595 ' CD1' ' OE1' ' A' ' 108' ' ' GLU . 25.3 t80 -55.34 -21.77 16.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 111.007 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.579 ' CD1' ' HB2' ' A' ' 49' ' ' CYS . 87.8 t80 -106.9 8.94 30.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 111.036 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -145.86 26.73 1.23 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 39' ' ' PHE . 2.6 tpm_? -108.03 97.47 7.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.277 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -49.31 94.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.572 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 24.7 p90 -100.79 164.17 11.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -104.97 148.79 26.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 23.6 p -106.44 153.18 40.66 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.353 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.822 ' HG3' ' HA3' ' A' ' 101' ' ' GLY . 95.9 Cg_endo -69.89 -4.08 13.4 Favored 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.298 3.332 . . . . 0.0 109.563 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.492 ' OG ' ' CE ' ' A' ' 45' ' ' LYS . 23.6 p -87.46 -11.37 49.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.972 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.456 ' O ' ' CD ' ' A' ' 45' ' ' LYS . . . 91.35 67.95 1.16 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.471 1.107 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.492 ' CE ' ' OG ' ' A' ' 43' ' ' SER . 0.0 OUTLIER 172.41 146.19 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 0.723 . . . . 0.0 109.266 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.7 154.27 19.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.346 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -158.44 -169.23 2.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.572 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -169.71 154.13 5.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.254 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.579 ' HB2' ' CD1' ' A' ' 35' ' ' PHE . 29.8 m -70.56 -9.0 55.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 108.317 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.444 ' O ' ' HA ' ' A' ' 54' ' ' THR . . . -105.03 2.76 29.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.414 ' HB2' ' O ' ' A' ' 48' ' ' ALA . 0.3 OUTLIER -82.33 -17.39 45.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.005 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 64.8 m -124.97 -46.07 1.85 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 108.325 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.498 ' O ' ' OG1' ' A' ' 54' ' ' THR . 66.6 m-70 -91.96 17.23 9.57 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.034 -0.985 . . . . 0.0 109.741 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.498 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 45.2 p 49.75 172.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.411 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -53.59 -23.96 12.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.346 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 19.1 t30 -131.6 123.96 19.69 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.359 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.66 ' CB ' HD23 ' A' ' 73' ' ' LEU . 57.7 Cg_endo -69.66 -36.86 10.27 Favored 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.341 3.361 . . . . 0.0 109.603 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.586 ' HA ' ' HB2' ' A' ' 74' ' ' ALA . . . -61.57 -13.15 19.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -93.11 174.34 7.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.7 t -75.43 121.81 27.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.352 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.494 ' HA2' HG23 ' A' ' 54' ' ' THR . . . -91.69 -174.63 42.92 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.2 ttmt -160.35 133.42 6.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 0.764 . . . . 0.0 109.306 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.963 ' ND2' HD11 ' A' ' 70' ' ' ILE . 83.2 m-20 -85.86 129.99 34.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 6.6 pt -83.93 5.91 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 0.0 109.27 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 79.4 t -86.22 -55.02 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 71.9 p -109.09 -34.98 6.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.571 1.17 . . . . 0.0 110.389 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 82.05 35.86 20.03 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.5 mmtm -81.65 -93.99 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 0.769 . . . . 0.0 109.306 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -178.51 122.46 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 110.284 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.963 HD11 ' ND2' ' A' ' 63' ' ' ASN . 3.0 mm -107.18 106.85 59.43 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.404 ' HB3' ' HD2' ' A' ' 72' ' ' PRO . 71.0 Cg_exo -50.31 165.84 0.34 Allowed 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 124.323 3.349 . . . . 0.0 109.605 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.446 ' O ' ' ND2' ' A' ' 78' ' ' ASN . 1.6 Cg_endo -42.68 125.56 3.85 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.328 3.352 . . . . 0.0 109.576 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.66 HD23 ' CB ' ' A' ' 57' ' ' PRO . 8.5 tp -76.96 -29.84 55.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.667 ' HB3' ' HB ' ' A' ' 77' ' ' VAL . . . -39.12 99.6 0.2 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.613 ' HB3' ' CD1' ' A' ' 82' ' ' PHE . 24.8 Cg_exo -63.12 -14.72 43.45 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.289 3.326 . . . . 0.0 109.573 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -97.76 -44.79 6.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 110.292 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.667 ' HB ' ' HB3' ' A' ' 74' ' ' ALA . 24.2 t -53.73 -41.3 46.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 72' ' ' PRO . 0.4 OUTLIER -95.07 136.54 35.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.6 p -84.06 -5.97 59.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.362 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.09 40.52 1.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.487 ' CB ' ' HA ' ' A' ' 75' ' ' PRO . 48.2 mmt-85 -142.57 168.2 20.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.263 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.613 ' CD1' ' HB3' ' A' ' 75' ' ' PRO . 2.9 m-30 37.88 53.77 1.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.988 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 90.8 m -100.89 -60.89 1.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.395 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -86.86 106.62 17.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.744 HG21 ' HE3' ' A' ' 7' ' ' LYS . 8.6 mt -64.94 -56.09 17.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -40.04 -48.15 2.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.1 mttp -94.18 78.78 4.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER 175.68 -34.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 90' ' ' ASP . 0.2 OUTLIER -66.15 -29.76 70.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.401 ' N ' ' HG3' ' A' ' 89' ' ' GLU . 4.1 m-20 -93.95 -44.75 7.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.44 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 3.5 mm-40 -52.93 -19.83 2.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.09 . . . . 0.0 110.323 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.15 -26.29 28.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.949 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.611 HG23 ' CG ' ' A' ' 103' ' ' ASP . 1.1 m -88.9 -37.17 15.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 0.0 110.429 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.77 -28.61 66.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.566 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.4 t60 -67.64 -59.09 3.62 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 115.01 -0.996 . . . . 0.0 109.786 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.417 ' C ' ' O ' ' A' ' 102' ' ' ALA . 4.0 m -56.77 -23.89 46.28 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.558 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.431 ' HA ' ' N ' ' A' ' 102' ' ' ALA . 1.9 m-80 -81.16 -13.0 59.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -117.38 4.81 12.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.566 HG13 ' CE1' ' A' ' 95' ' ' HIS . 37.3 mm -121.11 -48.2 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.6 HD12 ' SG ' ' A' ' 104' ' ' CYS . 42.4 mt -101.03 -25.83 13.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 0.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.822 ' HA3' ' HG3' ' A' ' 42' ' ' PRO . . . 100.66 12.05 39.05 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.507 1.13 . . . . 0.0 110.987 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.431 ' N ' ' HA ' ' A' ' 97' ' ' ASN . . . -163.9 -171.25 2.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 0.774 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.611 ' CG ' HG23 ' A' ' 93' ' ' THR . 13.9 t0 -93.42 124.18 37.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.6 ' SG ' HD12 ' A' ' 100' ' ' LEU . 55.6 m -63.35 161.61 13.75 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.57 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' SER . . . . . 0.501 ' OG ' ' CG ' ' A' ' 108' ' ' GLU . 60.3 p -75.45 145.8 79.95 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 110.0 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -61.35 -12.29 23.22 Favored 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.283 3.322 . . . . 0.0 109.583 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 59.6 p -90.53 -45.19 9.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.042 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.595 ' OE1' ' CD1' ' A' ' 34' ' ' PHE . 3.4 mm-40 -62.29 -16.94 57.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.312 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.454 ' C ' ' N ' ' A' ' 111' ' ' ASN . 3.6 mttp -91.97 -64.19 1.14 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.265 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.733 ' HB2' ' HB3' ' A' ' 12' ' ' TYR . . . -42.53 -27.22 0.15 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.466 ' ND2' ' HB2' ' A' ' 30' ' ' ASP . 6.6 t-20 -81.07 -59.17 2.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.706 ' CE2' HD22 ' A' ' 116' ' ' LEU . 86.2 t80 -41.13 -46.78 3.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.532 HG22 HG22 ' A' ' 9' ' ' VAL . 2.0 mt -56.85 -46.61 83.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 111' ' ' ASN . . . -51.63 -68.17 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.583 ' CD2' ' O ' ' A' ' 31' ' ' GLY . 0.4 OUTLIER -47.38 -27.75 1.78 Allowed 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.852 -179.921 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.706 HD22 ' CE2' ' A' ' 112' ' ' PHE . 1.2 tp -77.28 -40.03 45.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.523 ' CD2' ' HB1' ' A' ' 5' ' ' ALA . 7.2 mt -66.54 -37.45 85.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.39 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.0 m . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.587 ' HB3' HD11 ' A' ' 85' ' ' ILE . 0.1 OUTLIER -81.69 -49.62 10.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.313 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.539 ' O ' HG23 ' A' ' 9' ' ' VAL . . . -48.13 -46.83 34.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.4 ' OE2' ' O ' ' A' ' 6' ' ' GLU . 7.4 tp10 -53.6 -44.36 69.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.269 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.575 ' HE3' HG21 ' A' ' 85' ' ' ILE . 0.1 OUTLIER -57.26 -56.32 23.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.3 mt -45.68 -47.25 15.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.802 HG21 HD21 ' A' ' 117' ' ' LEU . 58.1 t -58.5 -51.56 70.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -71.89 -2.18 16.98 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.84 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.7 tptt -101.28 -73.23 0.65 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.781 ' HB2' ' HB2' ' A' ' 110' ' ' ALA . 82.2 m-85 -50.64 -22.15 1.91 Allowed 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 114.961 -1.018 . . . . 0.0 109.845 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.504 ' CG2' ' O ' ' A' ' 24' ' ' GLU . 27.9 m -76.3 -47.04 25.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.426 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -60.59 -53.34 58.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.9 mt -50.39 -50.67 20.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.21 -53.42 56.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.266 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -58.91 -32.65 69.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.566 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 36.0 t -72.31 -12.77 61.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 110.009 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -108.14 -39.88 5.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.25 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 42.7 m-20 -135.66 94.66 14.81 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.327 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -50.43 -20.59 6.19 Favored 'Trans proline' 0 N--CA 1.447 -1.214 0 C-N-CA 124.349 3.366 . . . . 0.0 109.567 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.42 ' HG3' ' N ' ' A' ' 23' ' ' TYR . 8.0 ptm -70.34 -24.74 63.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.094 . . . . 0.0 111.027 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.42 ' N ' ' HG3' ' A' ' 22' ' ' MET . 46.4 t80 -95.8 123.57 39.44 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.811 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.504 ' O ' ' CG2' ' A' ' 13' ' ' THR . 2.9 mm-40 -116.01 -42.83 3.03 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 110.284 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.628 ' HB1' ' CD ' ' A' ' 26' ' ' PRO . . . -161.67 174.48 3.72 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.628 ' CD ' ' HB1' ' A' ' 25' ' ' ALA . 6.7 Cg_exo -75.3 -179.81 5.41 Favored 'Trans proline' 0 N--CA 1.447 -1.257 0 C-N-CA 124.33 3.353 . . . . 0.0 109.631 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.4 13.41 2.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.006 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.41 HG21 HG21 ' A' ' 118' ' ' THR . 32.0 pt 41.98 50.32 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.35 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.7 ' O ' HG22 ' A' ' 29' ' ' THR . 3.9 m -162.56 37.44 0.11 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 110.379 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -143.26 -49.27 0.32 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.474 ' O ' ' N ' ' A' ' 35' ' ' PHE . . . -42.64 -49.29 5.94 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.449 1.093 . . . . 0.0 111.016 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.39 -72.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 0.754 . . . . 0.0 109.321 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.9 mt -50.01 -44.09 21.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -64.91 -14.18 59.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 111.018 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.544 ' CD1' ' CB ' ' A' ' 49' ' ' CYS . 76.9 t80 -110.92 6.75 21.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.961 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -140.28 23.04 2.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -95.77 103.48 15.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -58.04 87.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.569 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 19.1 p90 -100.51 154.77 18.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.148 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.9 tttm -104.52 139.74 38.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 109.315 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.402 ' HB ' ' HD2' ' A' ' 42' ' ' PRO . 58.6 p -82.37 153.66 68.7 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.406 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.814 ' HG3' ' HA3' ' A' ' 101' ' ' GLY . 60.3 Cg_endo -64.27 -7.6 14.36 Favored 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 124.268 3.312 . . . . 0.0 109.637 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.0 p -101.78 29.66 4.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.026 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.405 ' O ' ' HB2' ' A' ' 45' ' ' LYS . . . 51.45 77.82 0.12 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 44' ' ' GLY . 13.3 ttpp -176.6 134.81 0.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 0.751 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.471 ' CD ' ' N ' ' A' ' 47' ' ' ALA . 4.4 tm-20 -87.96 135.7 33.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.43 1.081 . . . . 0.0 110.27 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.471 ' N ' ' CD ' ' A' ' 46' ' ' GLU . . . -151.75 176.35 11.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.569 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -162.02 152.91 17.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.544 ' CB ' ' CD1' ' A' ' 35' ' ' PHE . 49.2 m -63.6 -13.27 40.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.077 . . . . 0.0 108.277 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.423 ' HA ' ' O ' ' A' ' 54' ' ' THR . . . -102.08 5.94 40.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 80.6 p -79.39 -29.3 42.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.044 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 92.6 m -117.78 -48.32 2.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 108.287 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.936 ' CE1' HD22 ' A' ' 73' ' ' LEU . 85.7 m-70 -83.23 12.83 4.76 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.739 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.537 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 57.2 p 51.02 170.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.356 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -51.36 -25.44 6.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.244 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -130.64 125.95 21.72 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.519 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 73.6 Cg_endo -71.2 -39.43 3.95 Favored 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.313 3.342 . . . . 0.0 109.575 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.74 ' HA ' ' HB2' ' A' ' 74' ' ' ALA . . . -58.71 -15.84 13.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -90.09 173.44 8.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 78.8 t -75.92 130.18 36.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.105 . . . . 0.0 109.341 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.404 ' HA2' HG23 ' A' ' 54' ' ' THR . . . -101.7 -174.48 28.2 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.532 1.145 . . . . 0.0 111.012 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.0 tttm -160.57 136.06 8.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 0.754 . . . . 0.0 109.299 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.903 ' ND2' HD11 ' A' ' 70' ' ' ILE . 87.5 m-20 -85.08 127.16 34.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.9 pt -82.82 5.58 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 74.6 t -86.29 -52.94 11.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 75.4 p -109.76 -33.69 6.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.391 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 81.21 35.88 22.57 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.538 1.149 . . . . 0.0 111.018 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 45.6 mttt -82.28 -94.87 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 0.782 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -179.07 124.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 110.299 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.903 HD11 ' ND2' ' A' ' 63' ' ' ASN . 2.8 mm -110.05 102.92 52.41 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.446 ' HB3' ' HD2' ' A' ' 72' ' ' PRO . 76.8 Cg_exo -52.67 167.36 0.62 Allowed 'Trans proline' 0 N--CA 1.447 -1.264 0 C-N-CA 124.294 3.329 . . . . 0.0 109.62 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.446 ' HD2' ' HB3' ' A' ' 71' ' ' PRO . 1.2 Cg_endo -42.47 128.16 4.58 Favored 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.298 3.332 . . . . 0.0 109.601 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.936 HD22 ' CE1' ' A' ' 53' ' ' HIS . 5.8 tp -98.7 -22.94 15.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.74 ' HB2' ' HA ' ' A' ' 58' ' ' ALA . . . -36.91 98.59 0.16 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.639 ' HG2' HD23 ' A' ' 116' ' ' LEU . 17.4 Cg_exo -66.48 55.7 0.43 Allowed 'Trans proline' 0 N--CA 1.447 -1.214 0 C-N-CA 124.294 3.329 . . . . 0.0 109.613 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 -170.14 -52.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 110.321 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 20.1 t -49.94 -40.11 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.474 ' N ' ' OD1' ' A' ' 78' ' ' ASN . 0.2 OUTLIER -99.88 144.83 28.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.283 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 20.3 p -86.55 2.25 48.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.414 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.3 mtmp? -112.86 41.85 1.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 62.2 mmt-85 -144.87 156.06 43.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.125 . . . . 0.0 110.23 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.616 ' CD1' ' HB3' ' A' ' 75' ' ' PRO . 0.9 OUTLIER 47.59 41.35 13.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 111.035 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.523 HG22 ' O ' ' A' ' 83' ' ' THR . 40.5 m -116.63 47.32 1.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 110.401 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -174.99 67.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.587 HD11 ' HB3' ' A' ' 4' ' ' ASN . 90.9 mt -41.08 -50.32 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 85' ' ' ILE . 8.7 m-20 -39.1 -57.57 1.27 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.47 95.73 6.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER 174.17 -34.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -68.3 -56.1 9.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.336 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -67.58 -45.31 75.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 4.4 mm-40 -52.49 -19.41 2.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.272 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.572 ' CD1' ' HD2' ' A' ' 109' ' ' LYS . 0.1 OUTLIER -86.71 -26.25 24.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.446 HG23 ' CG ' ' A' ' 103' ' ' ASP . 1.0 OUTLIER -88.85 -37.42 15.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.406 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 39.6 mmtt -68.48 -32.05 71.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.58 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.2 t60 -66.25 -59.96 3.24 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.759 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.433 ' C ' ' O ' ' A' ' 102' ' ' ALA . 10.0 m -54.83 -23.53 18.77 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.556 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.454 ' HA ' ' N ' ' A' ' 102' ' ' ALA . 1.6 m-80 -80.84 -12.67 59.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -116.49 3.84 13.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.58 HG13 ' CE1' ' A' ' 95' ' ' HIS . 39.3 mm -119.18 -51.24 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.523 HD12 ' SG ' ' A' ' 104' ' ' CYS . 75.1 mt -99.38 -22.66 15.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.814 ' HA3' ' HG3' ' A' ' 42' ' ' PRO . . . 99.24 10.16 49.18 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.454 ' N ' ' HA ' ' A' ' 97' ' ' ASN . . . -164.33 -177.31 4.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 0.75 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.446 ' CG ' HG23 ' A' ' 93' ' ' THR . 21.7 t0 -86.01 127.09 34.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.082 . . . . 0.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.523 ' SG ' HD12 ' A' ' 100' ' ' LEU . 48.4 m -62.17 161.85 10.48 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.944 -1.026 . . . . 0.0 109.614 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 27.8 t -71.01 141.93 87.16 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.959 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -59.5 -19.31 51.35 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.289 3.326 . . . . 0.0 109.587 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 77.8 p -86.75 -38.68 16.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.984 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -71.81 -6.26 40.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.138 . . . . 0.0 110.302 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.572 ' HD2' ' CD1' ' A' ' 92' ' ' PHE . 0.8 OUTLIER -88.3 -63.58 1.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.17 . . . . 0.0 109.301 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.781 ' HB2' ' HB2' ' A' ' 12' ' ' TYR . . . -54.89 -27.09 40.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -67.53 -50.65 57.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.425 ' CE2' HD22 ' A' ' 116' ' ' LEU . 39.5 t80 -63.04 -45.61 91.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.533 HG22 HG22 ' A' ' 9' ' ' VAL . 2.0 mt -54.2 -41.54 52.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 117' ' ' LEU . . . -63.86 -65.2 0.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -45.24 -37.7 4.88 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.81 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.639 HD23 ' HG2' ' A' ' 75' ' ' PRO . 1.0 OUTLIER -71.87 -37.15 70.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.901 HD12 ' O ' ' A' ' 117' ' ' LEU . 0.9 OUTLIER -91.4 20.65 5.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.41 HG21 HG21 ' A' ' 28' ' ' ILE . 53.9 m . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.387 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 51.8 m . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.555 ' HA ' HD11 ' A' ' 85' ' ' ILE . 0.1 OUTLIER -81.16 -49.55 10.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.714 ' HB1' HD22 ' A' ' 117' ' ' LEU . . . -53.55 -47.03 70.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -51.89 -54.31 30.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.304 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 11' ' ' LYS . 1.5 mmtm -51.22 -52.36 45.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.662 HD21 HG23 ' A' ' 85' ' ' ILE . 11.5 mt -47.42 -49.06 25.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.459 ' O ' ' CB ' ' A' ' 13' ' ' THR . 93.4 t -62.93 -50.98 77.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -64.26 -11.5 32.12 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 114.942 -1.026 . . . . 0.0 109.817 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 7' ' ' LYS . 0.5 OUTLIER -98.4 -73.33 0.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.729 ' CB ' ' HB2' ' A' ' 110' ' ' ALA . 51.4 m-85 -45.76 -24.24 0.35 Allowed 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.825 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.459 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 56.0 m -78.6 -52.02 9.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.357 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -57.91 -54.8 42.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 109.302 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.8 mt -48.09 -49.33 11.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.457 ' O ' ' ND2' ' A' ' 20' ' ' ASN . . . -60.19 -50.4 73.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.459 ' ND1' ' O ' ' A' ' 23' ' ' TYR . 66.8 t60 -58.37 -29.21 65.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.552 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.8 t -71.5 -23.21 61.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 1.166 . . . . 0.0 110.016 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -89.39 -26.59 20.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 16' ' ' ALA . 0.2 OUTLIER -153.41 126.39 4.11 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -82.98 43.79 1.55 Allowed 'Trans proline' 0 N--CA 1.447 -1.209 0 C-N-CA 124.321 3.347 . . . . 0.0 109.627 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.437 ' CG ' ' OD1' ' A' ' 20' ' ' ASN . 3.0 ptt? -144.35 34.53 1.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 111.008 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.459 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 74.1 t80 -154.82 109.29 2.98 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.858 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.423 ' O ' ' CG2' ' A' ' 13' ' ' THR . 3.0 mm-40 -91.17 -48.99 6.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.32 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.643 ' HB1' ' CD ' ' A' ' 26' ' ' PRO . . . -165.79 175.29 2.43 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.643 ' CD ' ' HB1' ' A' ' 25' ' ' ALA . 11.7 Cg_exo -72.83 -172.28 0.93 Allowed 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 124.307 3.338 . . . . 0.0 109.593 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.495 ' O ' ' CG1' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -146.6 18.51 1.32 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.434 1.084 . . . . 0.0 110.009 -179.916 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.495 ' CG1' ' O ' ' A' ' 27' ' ' SER . 47.4 pt 48.1 32.52 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 67.6 m -136.04 9.74 3.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.402 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -114.66 -35.01 5.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.9 53.54 3.73 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.5 1.125 . . . . 0.0 111.043 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.448 ' HG2' ' CZ ' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -134.65 -65.58 0.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 0.733 . . . . 0.0 109.322 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.405 ' O ' ' N ' ' A' ' 37' ' ' ARG . 60.1 mt -67.81 -44.36 85.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -54.4 -22.62 12.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.994 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.577 ' CD1' ' CB ' ' A' ' 49' ' ' CYS . 88.1 t80 -108.02 6.15 26.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.414 ' OD1' ' O ' ' A' ' 35' ' ' PHE . 83.5 m-20 -142.35 25.28 1.89 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 39' ' ' PHE . 15.5 ttp85 -103.83 94.46 5.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.342 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.413 ' CG ' ' HG2' ' A' ' 46' ' ' GLU . 21.2 ttmm -47.82 94.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.555 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 32.1 p90 -103.38 160.78 14.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.13 133.68 51.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.345 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.415 ' HB ' ' HD2' ' A' ' 42' ' ' PRO . 46.9 p -78.58 153.92 78.67 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 110.365 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.864 ' HG3' ' HA3' ' A' ' 101' ' ' GLY . 73.2 Cg_endo -66.28 -5.21 12.03 Favored 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 124.327 3.351 . . . . 0.0 109.576 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.8 p -101.21 12.66 37.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.996 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.87 77.03 0.42 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.0 tttm -176.19 135.78 0.27 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 0.755 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.413 ' HG2' ' CG ' ' A' ' 38' ' ' LYS . 3.5 tt0 -90.59 125.14 35.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 110.345 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.78 177.88 7.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.555 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -159.85 152.03 20.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.577 ' CB ' ' CD1' ' A' ' 35' ' ' PHE . 55.9 m -64.38 -11.98 38.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 108.258 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.44 ' HA ' ' O ' ' A' ' 54' ' ' THR . . . -104.39 7.45 35.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 95.5 p -78.19 -31.43 49.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.003 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 64.1 m -116.91 -45.34 2.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 108.347 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.526 ' O ' ' OG1' ' A' ' 54' ' ' THR . 72.7 m-70 -84.71 13.46 5.73 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 114.955 -1.021 . . . . 0.0 109.75 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.526 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 60.7 p 50.71 170.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 110.383 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.431 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 9.4 p30 -53.32 -24.58 12.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.254 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 14.0 t30 -130.7 124.23 20.72 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.431 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 58.4 Cg_endo -70.38 -37.94 7.06 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.327 3.351 . . . . 0.0 109.551 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.474 ' HA ' ' HB2' ' A' ' 74' ' ' ALA . . . -60.84 -14.11 19.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -91.04 173.08 8.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 109.359 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.617 HG22 ' HD3' ' A' ' 72' ' ' PRO . 53.4 t -76.6 123.58 33.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.45 ' HA2' HG23 ' A' ' 54' ' ' THR . . . -95.01 -175.94 37.93 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.495 1.122 . . . . 0.0 111.026 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.4 tttm -159.94 134.62 7.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 0.755 . . . . 0.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.907 ' ND2' HD11 ' A' ' 70' ' ' ILE . 87.5 m-20 -84.32 130.84 34.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.346 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 6.4 pt -85.97 8.69 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.335 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 53.8 t -90.75 -53.68 8.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 75.2 p -108.9 -34.25 6.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.394 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 81.94 33.83 25.86 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.503 1.127 . . . . 0.0 110.968 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.409 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 1.5 mmmt -79.13 -94.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.416 ' O ' ' HD3' ' A' ' 71' ' ' PRO . 9.6 pt-20 -179.59 124.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.259 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.907 HD11 ' ND2' ' A' ' 63' ' ' ASN . 2.5 mm -113.58 94.63 33.19 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.416 ' HD3' ' O ' ' A' ' 69' ' ' GLU . 81.2 Cg_exo -47.4 166.16 0.1 Allowed 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.337 3.358 . . . . 0.0 109.584 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.617 ' HD3' HG22 ' A' ' 60' ' ' VAL . 70.5 Cg_exo -37.51 135.4 0.47 Allowed 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.338 3.359 . . . . 0.0 109.545 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 75' ' ' PRO . 5.0 tp -97.32 -24.87 15.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.341 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.474 ' HB2' ' HA ' ' A' ' 58' ' ' ALA . . . -38.45 98.85 0.18 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.628 ' HB3' ' CD1' ' A' ' 82' ' ' PHE . 19.1 Cg_exo -65.78 55.01 0.34 Allowed 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.3 3.333 . . . . 0.0 109.611 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' A' ' 74' ' ' ALA . 10.1 ttm180 -166.25 -52.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.0 t -45.38 -41.98 3.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.471 ' N ' ' OD1' ' A' ' 78' ' ' ASN . 0.3 OUTLIER -96.17 153.69 17.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.6 p -82.61 -41.25 19.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.406 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.4 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 0.0 OUTLIER -81.36 51.28 1.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.4 ' HG2' ' O ' ' A' ' 80' ' ' LYS . 53.5 mmt-85 -147.6 135.77 21.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.326 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.628 ' CD1' ' HB3' ' A' ' 75' ' ' PRO . 0.5 OUTLIER 58.6 59.28 2.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 111.018 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 59.0 m -103.76 -61.53 1.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.375 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -87.6 111.8 21.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.662 HG23 HD21 ' A' ' 8' ' ' LEU . 81.3 mt -68.45 -46.82 79.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 85' ' ' ILE . 22.9 t70 -40.27 -59.93 1.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -88.55 83.49 6.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER 175.92 -33.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.25 -53.23 20.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.357 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -66.19 -46.22 78.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 3.6 mm-40 -55.65 -18.21 7.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.316 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.55 ' CG ' ' HD2' ' A' ' 109' ' ' LYS . 0.1 OUTLIER -84.35 -30.47 25.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 111.0 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.413 HG23 ' CG ' ' A' ' 103' ' ' ASP . 1.1 m -85.7 -35.51 20.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.424 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.7 mmtm -69.14 -30.07 68.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.641 ' CD2' HG13 ' A' ' 99' ' ' ILE . 19.2 t-160 -67.11 -59.43 3.46 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 115.079 -0.964 . . . . 0.0 109.755 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.438 ' C ' ' O ' ' A' ' 102' ' ' ALA . 16.1 m -54.91 -25.81 31.74 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.559 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.437 ' HA ' ' N ' ' A' ' 102' ' ' ALA . 1.8 m-20 -79.85 -12.73 59.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -116.53 2.61 13.09 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.475 1.11 . . . . 0.0 109.313 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.641 HG13 ' CD2' ' A' ' 95' ' ' HIS . 14.5 mm -117.74 -51.66 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.424 1.078 . . . . 0.0 109.342 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.409 ' O ' ' HD3' ' A' ' 42' ' ' PRO . 70.3 mt -99.45 -20.12 16.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.864 ' HA3' ' HG3' ' A' ' 42' ' ' PRO . . . 94.73 12.71 55.3 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.509 1.13 . . . . 0.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 96' ' ' CYS . . . -163.23 -175.54 4.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 0.736 . . . . 0.0 109.255 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.413 ' CG ' HG23 ' A' ' 93' ' ' THR . 29.4 t0 -89.33 127.03 35.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 44.5 m -62.73 160.63 13.93 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.563 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' SER . . . . . 0.471 ' HB3' ' CG ' ' A' ' 108' ' ' GLU . 27.6 t -68.84 142.87 94.09 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.056 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -60.32 -17.52 47.43 Favored 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.313 3.342 . . . . 0.0 109.604 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 61.5 p -91.24 -43.46 9.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.009 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.471 ' CG ' ' HB3' ' A' ' 105' ' ' SER . 11.7 mm-40 -59.54 -15.1 15.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.55 ' HD2' ' CG ' ' A' ' 92' ' ' PHE . 2.7 tppt? -82.87 -71.04 0.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.335 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.729 ' HB2' ' CB ' ' A' ' 12' ' ' TYR . . . -40.64 -29.49 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.455 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 4.6 t-20 -68.29 -66.51 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.892 ' CZ ' HD11 ' A' ' 116' ' ' LEU . 39.9 t80 -46.34 -45.28 17.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 111.052 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.709 ' O ' HD23 ' A' ' 117' ' ' LEU . 2.0 mt -54.77 -33.8 28.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.255 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 111' ' ' ASN . . . -71.69 -70.06 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.448 ' CZ ' ' HG2' ' A' ' 32' ' ' LYS . 0.2 OUTLIER -41.27 -29.36 0.13 Allowed 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.034 -0.984 . . . . 0.0 109.844 -179.893 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.892 HD11 ' CZ ' ' A' ' 112' ' ' PHE . 17.1 mt -77.69 -47.06 20.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.847 HD12 ' O ' ' A' ' 117' ' ' LEU . 1.0 OUTLIER -91.49 30.55 1.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 5.7 m . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.407 -179.952 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.5 m . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 110.363 -0.236 . . . . 0.0 110.363 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -82.15 -47.92 11.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 1.04 ' HB1' HD21 ' A' ' 117' ' ' LEU . . . -56.76 -51.9 67.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 7' ' ' LYS . 12.4 pt-20 -52.32 -36.42 53.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.259 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 11' ' ' LYS . 3.9 tptt -63.96 -55.63 21.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.627 HD21 HG12 ' A' ' 85' ' ' ILE . 9.8 mt -48.02 -39.32 19.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.445 ' O ' ' CB ' ' A' ' 13' ' ' THR . 88.3 t -65.57 -53.18 42.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -73.06 -0.74 14.8 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.807 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 7' ' ' LYS . 1.8 tptp -103.12 -72.07 0.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.68 ' HB2' ' HB2' ' A' ' 110' ' ' ALA . 62.3 m-85 -51.75 -21.66 2.95 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 114.988 -1.006 . . . . 0.0 109.863 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.445 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 52.9 m -79.27 -53.86 6.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.401 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.423 ' O ' ' N ' ' A' ' 18' ' ' SER . 3.5 t30 -55.63 -54.79 39.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.8 mt -50.1 -49.53 21.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.34 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.25 -43.33 96.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.457 ' ND1' ' O ' ' A' ' 23' ' ' TYR . 70.0 t60 -66.98 -29.09 68.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.597 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 14' ' ' ASN . 46.7 t -72.87 -20.06 61.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 110.032 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -99.06 -28.94 13.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.4 ' O ' ' HA ' ' A' ' 17' ' ' HIS . 0.7 OUTLIER -141.18 113.78 6.86 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.158 . . . . 0.0 109.283 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -78.61 42.92 1.34 Allowed 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.299 3.332 . . . . 0.0 109.59 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 17.3 ptt? -146.69 34.15 0.94 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.457 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 69.5 t80 -151.81 114.19 4.55 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.833 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -95.29 -47.36 6.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.322 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.68 ' HB1' ' CD ' ' A' ' 26' ' ' PRO . . . -165.26 176.48 2.01 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.68 ' CD ' ' HB1' ' A' ' 25' ' ' ALA . 27.6 Cg_exo -67.19 164.54 29.9 Favored 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 124.335 3.356 . . . . 0.0 109.619 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.68 12.02 9.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.027 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 41.1 pt 44.09 49.74 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.714 ' O ' HG22 ' A' ' 29' ' ' THR . 3.4 m -162.29 38.72 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 110.435 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 33' ' ' ILE . 0.6 OUTLIER -148.22 -45.6 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -47.72 -24.53 2.94 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.496 1.122 . . . . 0.0 111.034 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.526 ' HB3' ' CZ ' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -72.85 -35.49 67.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 0.777 . . . . 0.0 109.284 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.481 HD11 ' HE3' ' A' ' 32' ' ' LYS . 13.2 mt -85.61 3.96 3.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.09 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.54 ' CG ' ' O ' ' A' ' 34' ' ' PHE . 60.7 t80 -124.42 30.0 6.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.95 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.587 ' CD1' ' HB2' ' A' ' 49' ' ' CYS . 42.4 t80 -145.25 -41.67 0.23 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.148 . . . . 0.0 111.006 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -100.42 6.85 44.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 -79.95 88.02 5.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 110.313 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.5 ttpp -48.37 101.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.455 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 35.7 p90 -108.76 162.13 14.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.79 134.96 51.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 12.8 p -85.4 153.45 58.98 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.386 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.859 ' HG3' ' HA3' ' A' ' 101' ' ' GLY . 59.5 Cg_endo -64.11 -9.04 17.97 Favored 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.296 3.33 . . . . 0.0 109.606 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.1 p -85.87 -6.87 59.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.969 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 84.49 67.07 1.44 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -171.83 138.9 1.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 0.737 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -89.16 123.23 33.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 110.273 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -133.83 -178.44 5.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.271 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.455 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -162.77 152.17 15.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.587 ' HB2' ' CD1' ' A' ' 35' ' ' PHE . 61.9 m -64.77 -13.54 55.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 108.327 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.439 ' HA ' ' O ' ' A' ' 54' ' ' THR . . . -101.37 4.19 41.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 90.6 p -75.18 -27.08 59.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 110.008 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 80.5 m -121.83 -47.16 2.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 108.291 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.521 ' O ' ' OG1' ' A' ' 54' ' ' THR . 90.3 m-70 -82.88 14.12 3.47 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.012 -0.994 . . . . 0.0 109.779 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.521 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 44.9 p 50.81 171.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.139 . . . . 0.0 110.387 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -54.01 -22.04 9.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -134.85 125.53 17.35 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.817 ' HG3' HD21 ' A' ' 116' ' ' LEU . 60.4 Cg_endo -70.72 -42.52 2.36 Favored 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.301 3.334 . . . . 0.0 109.603 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.642 ' HA ' ' HB2' ' A' ' 74' ' ' ALA . . . -55.64 -16.95 4.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -90.68 171.26 9.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 70.1 t -73.58 130.38 35.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.433 ' HA2' HG23 ' A' ' 54' ' ' THR . . . -100.78 -174.48 29.39 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.499 1.124 . . . . 0.0 111.013 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.1 tttt -159.61 134.77 8.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 0.755 . . . . 0.0 109.272 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.792 ' ND2' HD11 ' A' ' 70' ' ' ILE . 84.1 m-20 -85.28 128.32 34.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 7.3 pt -84.35 7.22 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.344 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 71.0 t -88.67 -54.44 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 62.5 p -109.17 -33.77 6.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.155 . . . . 0.0 110.442 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 80.97 34.71 26.36 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.467 1.105 . . . . 0.0 111.045 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.435 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 1.0 OUTLIER -77.72 -94.17 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 0.764 . . . . 0.0 109.328 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.435 ' HB3' ' O ' ' A' ' 68' ' ' LYS . 14.1 pt-20 179.25 120.57 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.322 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.792 HD11 ' ND2' ' A' ' 63' ' ' ASN . 2.7 mm -109.93 126.65 28.59 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.465 ' CB ' ' HD2' ' A' ' 72' ' ' PRO . 58.3 Cg_endo -71.0 170.25 18.52 Favored 'Trans proline' 0 N--CA 1.448 -1.184 0 C-N-CA 124.347 3.365 . . . . 0.0 109.578 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.696 ' HG2' HD21 ' A' ' 78' ' ' ASN . 13.0 Cg_endo -51.99 135.85 51.84 Favored 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.322 3.348 . . . . 0.0 109.599 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.803 ' O ' HD12 ' A' ' 73' ' ' LEU . 1.3 tp -91.4 -20.15 22.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.642 ' HB2' ' HA ' ' A' ' 58' ' ' ALA . . . -36.58 96.83 0.11 Allowed Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.563 ' HB3' ' CG ' ' A' ' 82' ' ' PHE . 15.5 Cg_exo -68.05 54.89 0.7 Allowed 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 124.353 3.368 . . . . 0.0 109.582 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.1 ttt-85 -171.29 -50.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.297 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.66 HG12 ' OD1' ' A' ' 78' ' ' ASN . 33.6 t -45.93 -41.29 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.696 HD21 ' HG2' ' A' ' 72' ' ' PRO . 0.4 OUTLIER -111.63 157.54 20.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.348 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.3 t -94.95 3.75 54.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.408 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -104.96 28.33 7.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.441 ' NH2' ' HG2' ' A' ' 71' ' ' PRO . 23.3 mmt-85 -127.6 147.82 50.35 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 110.287 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.563 ' CG ' ' HB3' ' A' ' 75' ' ' PRO . 3.3 m-30 57.08 46.02 19.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 60.1 m -76.05 -64.46 1.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 110.429 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -83.54 97.21 8.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.627 HG12 HD21 ' A' ' 8' ' ' LEU . 5.4 tt -75.57 -2.43 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.249 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -94.39 -24.1 17.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 90' ' ' ASP . 15.7 mttt -101.04 -53.75 2.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -43.16 -28.33 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.443 ' CG ' ' OH ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -79.4 -44.85 20.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.267 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 87' ' ' LYS . 43.2 m-20 -67.15 -45.56 76.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.247 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -59.3 -46.84 87.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.567 ' CD2' ' HD2' ' A' ' 109' ' ' LYS . 0.1 OUTLIER -47.73 -27.4 1.96 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 110.993 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.762 HG23 ' CG ' ' A' ' 103' ' ' ASP . 1.2 m -88.33 -49.0 7.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.375 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.44 -21.93 64.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.44 ' O ' ' N ' ' A' ' 99' ' ' ILE . 1.3 t60 -73.61 -58.13 3.52 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.749 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.421 ' C ' ' O ' ' A' ' 102' ' ' ALA . 15.1 m -58.43 -26.8 63.71 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.571 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -79.14 -13.55 59.66 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.64 5.19 10.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.44 ' N ' ' O ' ' A' ' 95' ' ' HIS . 5.5 mm -120.33 -46.55 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.433 ' O ' ' HD3' ' A' ' 42' ' ' PRO . 39.9 mt -104.14 -24.6 13.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.859 ' HA3' ' HG3' ' A' ' 42' ' ' PRO . . . 98.25 16.37 32.66 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.521 1.138 . . . . 0.0 110.987 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 96' ' ' CYS . . . -164.35 -176.55 4.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 0.788 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.762 ' CG ' HG23 ' A' ' 93' ' ' THR . 9.4 t0 -94.51 119.94 33.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 35.2 m -58.55 161.16 4.78 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.62 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' SER . . . . . 0.463 ' OG ' ' CG ' ' A' ' 108' ' ' GLU . 54.0 p -81.49 145.64 55.56 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.993 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -59.56 -14.55 26.34 Favored 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 124.3 3.333 . . . . 0.0 109.593 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 60.1 p -86.46 -44.76 11.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.424 1.078 . . . . 0.0 110.005 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.463 ' CG ' ' OG ' ' A' ' 105' ' ' SER . 2.1 mm-40 -66.47 -8.19 24.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.319 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.567 ' HD2' ' CD2' ' A' ' 92' ' ' PHE . 1.5 tppt? -86.02 -63.93 1.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.68 ' HB2' ' HB2' ' A' ' 12' ' ' TYR . . . -58.88 -16.49 17.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -78.85 -36.46 42.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.628 ' CE2' HD11 ' A' ' 116' ' ' LEU . 73.4 t80 -79.99 -46.09 17.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.501 HD12 ' HG3' ' A' ' 109' ' ' LYS . 1.9 mt -50.98 -42.62 24.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.589 ' HB2' ' HG2' ' A' ' 26' ' ' PRO . . . -61.97 -69.34 0.25 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.26 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.526 ' CZ ' ' HB3' ' A' ' 32' ' ' LYS . 0.9 OUTLIER -39.9 -39.48 0.84 Allowed 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.795 -179.913 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.817 HD21 ' HG3' ' A' ' 57' ' ' PRO . 11.6 mt -68.62 -62.84 1.21 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 1.04 HD21 ' HB1' ' A' ' 5' ' ' ALA . 16.7 mt -39.38 -44.93 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.44 HG22 ' C ' ' A' ' 115' ' ' TYR . 8.7 t . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.449 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 4' ' ' ASN . 76.5 m . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.563 ' HB3' HD11 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -39.37 -54.88 1.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.577 ' HB1' HD22 ' A' ' 117' ' ' LEU . . . -41.87 -50.04 4.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.571 1.169 . . . . 0.0 109.302 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 3' ' ' THR . 10.4 tp10 -55.07 -47.71 74.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.319 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.452 ' C ' ' CD ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -58.71 -48.53 80.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.65 HD21 HG23 ' A' ' 85' ' ' ILE . 11.0 mt -51.52 -51.29 56.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.531 HG21 HD21 ' A' ' 117' ' ' LEU . 81.3 t -56.94 -52.18 58.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -66.73 -7.6 22.17 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.025 -0.988 . . . . 0.0 109.789 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.1 tptm -99.58 -74.75 0.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.097 . . . . 0.0 109.276 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.642 ' HB2' ' HB2' ' A' ' 110' ' ' ALA . 74.8 m-85 -46.21 -25.41 0.6 Allowed 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 114.959 -1.019 . . . . 0.0 109.846 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.461 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 25.1 m -72.72 -46.51 53.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.381 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.445 ' O ' ' N ' ' A' ' 17' ' ' HIS . 2.3 t-20 -62.09 -60.92 2.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.4 mt -43.75 -47.49 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.85 -39.86 90.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.341 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.445 ' N ' ' O ' ' A' ' 14' ' ' ASN . 12.9 t60 -69.9 -30.56 68.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.612 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 29.7 t -64.93 -10.86 32.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.046 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -110.43 -44.93 3.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.44 ' ND2' ' HD2' ' A' ' 21' ' ' PRO . 13.2 t-20 -119.84 121.68 29.58 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.44 ' HD2' ' ND2' ' A' ' 20' ' ' ASN . 88.1 Cg_endo -82.86 35.65 0.58 Allowed 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.331 3.354 . . . . 0.0 109.607 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 3.7 mtt -143.24 36.99 1.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.984 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.441 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 12.7 t80 -138.8 113.34 8.96 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.829 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -100.21 -48.65 4.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.288 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -158.16 152.37 20.13 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -59.65 -161.76 0.02 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.188 0 C-N-CA 124.321 3.347 . . . . 0.0 109.572 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 29.4 t -150.63 164.21 36.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.424 1.078 . . . . 0.0 109.982 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.596 ' HB ' HG21 ' A' ' 118' ' ' THR . 5.8 pt -117.55 43.47 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.09 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.514 ' O ' HG22 ' A' ' 29' ' ' THR . 51.5 m -154.86 35.51 0.4 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 110.411 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.491 ' HA ' HD12 ' A' ' 33' ' ' ILE . 0.2 OUTLIER -154.83 -44.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -41.85 -27.27 0.35 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.446 1.091 . . . . 0.0 110.971 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.515 ' HB3' ' CZ ' ' A' ' 115' ' ' TYR . 26.2 pttt -69.92 -46.46 65.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 0.802 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.491 HD12 ' HA ' ' A' ' 30' ' ' ASP . 19.7 mt -58.86 -55.15 25.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -56.63 -18.71 13.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.547 ' CE2' ' HD3' ' A' ' 57' ' ' PRO . 84.9 t80 -108.86 4.99 24.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.956 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.411 ' OD1' ' O ' ' A' ' 35' ' ' PHE . 85.7 m-20 -142.52 27.43 1.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.471 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -104.56 88.97 3.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -43.61 95.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.253 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.56 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 30.6 p90 -106.62 161.14 14.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 111.016 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.26 135.06 46.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.423 ' HB ' ' HD2' ' A' ' 42' ' ' PRO . 69.3 p -79.15 154.64 77.34 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 110.427 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.88 ' HG3' ' HA3' ' A' ' 101' ' ' GLY . 60.7 Cg_endo -64.83 -6.2 12.09 Favored 'Trans proline' 0 N--CA 1.447 -1.251 0 C-N-CA 124.348 3.365 . . . . 0.0 109.587 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.2 p -107.94 31.92 5.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.029 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 49.78 83.81 0.03 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.529 1.143 . . . . 0.0 111.015 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.473 ' HD3' ' HB2' ' A' ' 47' ' ' ALA . 0.0 OUTLIER 178.72 124.59 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 0.762 . . . . 0.0 109.322 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -79.99 125.31 29.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 0.0 110.322 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.473 ' HB2' ' HD3' ' A' ' 45' ' ' LYS . . . -141.39 177.93 7.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.56 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -159.11 153.87 24.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.44 ' CB ' ' CD1' ' A' ' 35' ' ' PHE . 61.7 m -65.69 -12.34 52.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 108.279 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.482 ' HB1' ' HA ' ' A' ' 55' ' ' ASN . . . -103.68 5.93 36.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 90.5 p -73.58 -31.86 63.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.034 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 62' ' ' LYS . 61.2 m -116.06 -42.78 3.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 108.307 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.499 ' O ' ' OG1' ' A' ' 54' ' ' THR . 27.6 m80 -86.54 15.73 5.27 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.733 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.499 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 61.3 p 49.77 173.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 110.399 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.482 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 7.4 p30 -56.48 -25.95 52.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -127.32 124.63 23.75 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.547 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 65.0 Cg_endo -70.64 -39.46 4.79 Favored 'Trans proline' 0 N--CA 1.447 -1.209 0 C-N-CA 124.338 3.359 . . . . 0.0 109.632 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.34 -16.05 12.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -89.12 175.31 7.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.26 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 40.4 t -78.98 117.09 23.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.248 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.467 ' HA2' HG23 ' A' ' 54' ' ' THR . . . -77.21 -169.49 31.96 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.528 1.143 . . . . 0.0 110.996 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 52' ' ' CYS . 0.5 OUTLIER -170.24 122.23 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 0.749 . . . . 0.0 109.257 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.641 ' ND2' HD11 ' A' ' 70' ' ' ILE . 90.9 m-20 -77.72 134.89 38.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 7.0 pt -84.33 8.15 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 67.8 t -87.28 -54.57 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.256 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 71.9 p -106.86 -34.42 7.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.382 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 88.36 47.48 4.33 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.128 . . . . 0.0 110.99 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.65 -166.35 1.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.57 0.806 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -112.83 101.19 9.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.316 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.641 HD11 ' ND2' ' A' ' 63' ' ' ASN . 2.8 mm -82.35 118.07 70.64 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -46.65 163.77 0.11 Allowed 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.306 3.338 . . . . 0.0 109.621 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -48.44 132.32 24.42 Favored 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.343 3.362 . . . . 0.0 109.569 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 74' ' ' ALA . 5.5 tp -84.76 -31.14 24.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.647 ' HB3' ' HB ' ' A' ' 77' ' ' VAL . . . -39.61 100.3 0.21 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.265 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.606 ' HB3' ' CD1' ' A' ' 82' ' ' PHE . 48.0 Cg_exo -59.37 -13.04 18.68 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.341 3.361 . . . . 0.0 109.557 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.6 ttp85 -100.84 -53.55 3.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 110.273 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.647 ' HB ' ' HB3' ' A' ' 74' ' ' ALA . 40.3 t -54.86 -40.25 51.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.431 ' ND2' ' HG2' ' A' ' 81' ' ' ARG . 40.1 t-20 -95.05 104.46 16.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 43.4 p -59.19 -19.11 42.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.418 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.413 ' O ' ' NH1' ' A' ' 81' ' ' ARG . 6.6 mmtp -88.28 43.19 1.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.084 . . . . 0.0 109.277 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.502 ' CB ' ' HA ' ' A' ' 75' ' ' PRO . 86.7 mmt-85 -147.24 171.99 14.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 110.311 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.606 ' CD1' ' HB3' ' A' ' 75' ' ' PRO . 3.8 m-30 36.05 66.07 0.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 86.5 m -96.46 -60.4 1.62 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 110.384 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -112.04 100.76 9.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.65 HG23 HD21 ' A' ' 8' ' ' LEU . 55.6 mt -40.16 -43.67 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 85' ' ' ILE . 29.9 t0 -40.41 -58.67 1.49 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.86 79.57 6.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.262 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER 174.54 -34.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -71.15 -53.96 12.69 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.548 1.155 . . . . 0.0 110.3 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -65.06 -49.47 69.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 109.327 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -47.57 -38.71 14.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 110.277 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.568 ' CD1' ' HD2' ' A' ' 109' ' ' LYS . 0.1 OUTLIER -62.86 -27.04 69.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 111.003 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.646 HG23 ' CG ' ' A' ' 103' ' ' ASP . 1.0 OUTLIER -88.34 -36.67 16.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.373 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.0 mmmt -72.07 -29.69 64.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.423 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.4 t60 -67.46 -60.6 2.43 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.78 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.45 ' C ' ' O ' ' A' ' 102' ' ' ALA . 1.8 m -54.78 -25.11 25.82 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.567 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.459 ' HA ' ' N ' ' A' ' 102' ' ' ALA . 1.9 m-20 -78.84 -15.8 57.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -111.53 -4.53 14.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.423 HG13 ' CE1' ' A' ' 95' ' ' HIS . 48.9 mm -111.06 -57.33 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.712 HD12 ' SG ' ' A' ' 104' ' ' CYS . 47.0 mt -91.33 -15.86 28.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.88 ' HA3' ' HG3' ' A' ' 42' ' ' PRO . . . 87.64 13.7 64.64 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.516 1.135 . . . . 0.0 111.039 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.459 ' N ' ' HA ' ' A' ' 97' ' ' ASN . . . -161.2 -169.98 2.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 0.759 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.646 ' CG ' HG23 ' A' ' 93' ' ' THR . 8.2 t0 -96.9 121.39 38.72 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.712 ' SG ' HD12 ' A' ' 100' ' ' LEU . 45.2 m -61.39 161.5 9.21 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.04 -0.982 . . . . 0.0 109.554 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.5 m -74.57 143.35 78.88 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.135 . . . . 0.0 109.951 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -61.52 -20.69 69.6 Favored 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.333 3.356 . . . . 0.0 109.603 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 53.0 p -82.52 -34.65 27.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.027 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -75.5 -14.45 60.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.342 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.568 ' HD2' ' CD1' ' A' ' 92' ' ' PHE . 0.6 OUTLIER -78.3 -59.64 2.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.642 ' HB2' ' HB2' ' A' ' 12' ' ' TYR . . . -59.04 -24.67 63.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -69.0 -39.84 79.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.31 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.711 ' CE2' HD11 ' A' ' 116' ' ' LEU . 39.5 t80 -76.5 -45.98 28.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 111.049 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.654 ' O ' HD23 ' A' ' 117' ' ' LEU . 1.9 mt -52.55 -38.58 26.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.36 -60.44 2.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.515 ' CZ ' ' HB3' ' A' ' 32' ' ' LYS . 1.3 t80 -53.14 -35.2 59.47 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.851 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.711 HD11 ' CE2' ' A' ' 112' ' ' PHE . 7.2 mt -70.37 -41.63 72.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.421 1.076 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.901 HD12 ' O ' ' A' ' 117' ' ' LEU . 1.2 pp -92.34 28.25 2.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.143 . . . . 0.0 109.332 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.596 HG21 ' HB ' ' A' ' 28' ' ' ILE . 1.9 m . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.353 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.425 -0.213 . . . . 0.0 110.425 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -79.66 -49.09 12.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.241 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.969 ' HB1' HD22 ' A' ' 117' ' ' LEU . . . -51.44 -47.79 62.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -52.86 -49.45 65.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.572 1.17 . . . . 0.0 110.307 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.436 ' C ' ' CD ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -53.14 -52.93 57.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.479 HD11 HG11 ' A' ' 88' ' ' VAL . 10.9 mt -51.39 -53.04 40.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.266 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.571 HG21 HD21 ' A' ' 117' ' ' LEU . 91.7 t -59.91 -36.5 67.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -80.27 6.95 10.53 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.851 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.8 mmtm -119.83 -74.05 0.62 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 109.326 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.405 ' HB2' ' HB2' ' A' ' 110' ' ' ALA . 83.1 m-85 -45.88 -24.06 0.35 Allowed 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.799 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.431 ' CG2' ' O ' ' A' ' 24' ' ' GLU . 51.8 m -75.5 -53.36 8.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 110.421 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -55.87 -53.61 54.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.8 mt -50.4 -48.2 25.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.72 -45.39 94.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.338 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.461 ' HA ' ' O ' ' A' ' 20' ' ' ASN . 72.7 t60 -64.45 -30.21 71.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.584 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.5 t -71.68 -18.22 62.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.992 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -102.35 -21.48 14.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.461 ' O ' ' HA ' ' A' ' 17' ' ' HIS . 11.3 t-20 -146.77 119.37 4.9 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.422 ' HD2' ' ND2' ' A' ' 20' ' ' ASN . 91.0 Cg_endo -83.18 31.82 0.52 Allowed 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.338 3.358 . . . . 0.0 109.586 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.6 mtp -138.9 30.52 2.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 110.98 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.45 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 82.4 t80 -147.86 112.4 5.32 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.058 -0.973 . . . . 0.0 109.796 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.431 ' O ' ' CG2' ' A' ' 13' ' ' THR . 3.2 mm-40 -94.89 -48.61 5.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 110.322 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.66 ' HB1' ' CD ' ' A' ' 26' ' ' PRO . . . -160.72 175.6 3.03 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.66 ' CD ' ' HB1' ' A' ' 25' ' ' ALA . 16.6 Cg_exo -70.57 -178.55 2.71 Favored 'Trans proline' 0 N--CA 1.448 -1.198 0 C-N-CA 124.362 3.375 . . . . 0.0 109.537 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.485 ' C ' HG13 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -136.96 25.15 3.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 0.0 110.012 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.815 ' O ' HD12 ' A' ' 28' ' ' ILE . 2.7 pp 35.26 36.28 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.457 ' N ' ' O ' ' A' ' 27' ' ' SER . 35.5 m -126.64 -59.06 1.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.394 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.621 ' HB2' HD22 ' A' ' 111' ' ' ASN . 0.8 OUTLIER -58.27 -16.65 14.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.574 ' HA3' ' CD2' ' A' ' 115' ' ' TYR . . . -70.03 63.88 0.72 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.471 1.107 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.21 -47.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 0.759 . . . . 0.0 109.293 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 89.7 mt -62.13 -41.38 91.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -76.5 -9.75 58.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 0.0 110.966 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.57 ' CD1' ' HB2' ' A' ' 49' ' ' CYS . 82.5 t80 -111.71 9.18 20.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 111.028 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -145.9 26.92 1.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.485 ' O ' ' N ' ' A' ' 39' ' ' PHE . 4.1 tpm_? -100.88 93.07 5.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.294 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -46.68 93.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.598 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 24.0 p90 -107.62 156.41 19.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -105.01 139.16 40.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.439 ' HB ' ' HD2' ' A' ' 42' ' ' PRO . 52.4 p -83.12 154.86 67.26 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.395 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.889 ' HG3' ' HA3' ' A' ' 101' ' ' GLY . 56.9 Cg_endo -62.85 -7.85 12.28 Favored 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.36 3.373 . . . . 0.0 109.595 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.5 p -103.83 32.67 3.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 109.961 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 48.71 80.14 0.06 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.122 . . . . 0.0 110.995 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 24.0 ttpt -175.03 135.23 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 0.789 . . . . 0.0 109.28 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -93.43 123.25 36.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -136.33 -169.44 2.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.598 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -175.1 154.15 1.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.27 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.57 ' HB2' ' CD1' ' A' ' 35' ' ' PHE . 21.4 m -70.11 -8.02 46.21 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 108.321 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.444 ' HA ' ' O ' ' A' ' 54' ' ' THR . . . -107.29 5.67 27.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.252 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.4 ' HB2' ' O ' ' A' ' 48' ' ' ALA . 0.4 OUTLIER -86.51 -20.29 28.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.972 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 63.9 m -122.31 -44.71 2.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 108.326 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.523 ' O ' ' OG1' ' A' ' 54' ' ' THR . 65.2 m-70 -93.35 16.51 13.17 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 114.961 -1.018 . . . . 0.0 109.791 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.523 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 58.0 p 50.63 169.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 110.366 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.42 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 9.9 p30 -53.07 -25.8 13.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 15.9 t30 -128.71 124.78 22.79 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.512 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 74.2 Cg_endo -71.31 -37.32 5.91 Favored 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.292 3.328 . . . . 0.0 109.614 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.76 -13.87 17.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 0.0 109.235 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -92.65 173.73 7.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 87.1 t -75.32 127.61 36.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.415 ' HA2' HG23 ' A' ' 54' ' ' THR . . . -99.74 -177.67 30.93 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.545 1.153 . . . . 0.0 111.006 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -161.63 135.86 6.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 0.789 . . . . 0.0 109.322 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.921 ' ND2' HD11 ' A' ' 70' ' ' ILE . 92.9 m-20 -85.7 127.45 34.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.8 pt -83.11 5.83 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 74.5 t -86.78 -53.78 9.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.244 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 77.1 p -109.13 -34.02 6.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.392 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 81.59 35.29 23.01 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.55 1.156 . . . . 0.0 111.001 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 32.8 mmtt -80.27 -94.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 0.752 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.403 ' O ' ' HD3' ' A' ' 71' ' ' PRO . 9.5 pt-20 -179.39 123.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.921 HD11 ' ND2' ' A' ' 63' ' ' ASN . 2.2 mm -114.06 96.01 40.39 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.42 ' HB3' ' HD2' ' A' ' 72' ' ' PRO . 89.0 Cg_exo -49.42 167.56 0.16 Allowed 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.321 3.347 . . . . 0.0 109.614 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.42 ' HD2' ' HB3' ' A' ' 71' ' ' PRO . 68.2 Cg_exo -37.4 132.32 0.59 Allowed 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 124.338 3.359 . . . . 0.0 109.586 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.424 ' O ' ' C ' ' A' ' 74' ' ' ALA . 3.7 tp -94.2 -30.21 14.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.542 ' HA ' HD22 ' A' ' 116' ' ' LEU . . . -38.56 108.53 0.46 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.285 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.533 ' HB2' ' CG ' ' A' ' 82' ' ' PHE . 71.8 Cg_endo -79.25 41.88 1.18 Allowed 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.294 3.33 . . . . 0.0 109.575 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.61 -56.44 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.291 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.45 HG12 ' OD1' ' A' ' 78' ' ' ASN . 14.1 t -42.79 -42.69 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 109.254 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.485 ' N ' ' OD1' ' A' ' 78' ' ' ASN . 0.2 OUTLIER -100.63 147.83 25.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 25.4 p -90.29 2.62 55.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.404 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.86 47.29 0.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.25 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.408 ' CB ' ' HA ' ' A' ' 75' ' ' PRO . 59.0 mmt-85 -143.77 158.18 43.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.16 . . . . 0.0 110.32 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.533 ' CG ' ' HB2' ' A' ' 75' ' ' PRO . 1.6 m-30 50.8 34.17 9.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.941 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 34.9 m -91.65 53.42 2.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.147 . . . . 0.0 110.43 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.2 t0 177.93 90.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.464 HG23 ' O ' ' A' ' 85' ' ' ILE . 2.5 tt -89.45 40.06 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -126.66 -46.82 1.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.408 ' HE3' ' CG ' ' A' ' 91' ' ' GLU . 30.4 tttp -87.35 -34.36 18.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.479 HG11 HD11 ' A' ' 8' ' ' LEU . 1.2 t -50.62 -36.92 14.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -77.26 57.46 1.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.275 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.1 t0 175.49 -48.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.41 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 6.5 mm-40 -56.25 -19.09 12.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.566 ' CG ' ' HD2' ' A' ' 109' ' ' LYS . 0.1 OUTLIER -84.02 -24.07 30.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 110.975 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.0 -31.45 18.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 110.406 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 43.4 mmtt -75.98 -30.03 58.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.574 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.3 t60 -67.72 -58.77 4.07 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 115.008 -0.996 . . . . 0.0 109.774 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.424 ' C ' ' O ' ' A' ' 102' ' ' ALA . 8.4 m -57.24 -24.81 57.14 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.561 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.451 ' HA ' ' N ' ' A' ' 102' ' ' ALA . 1.6 m-20 -81.29 -13.0 58.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -115.53 -2.84 12.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.574 HG13 ' CE1' ' A' ' 95' ' ' HIS . 26.8 mm -114.47 -55.13 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.777 HD12 ' SG ' ' A' ' 104' ' ' CYS . 41.5 mt -94.46 -9.56 35.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.889 ' HA3' ' HG3' ' A' ' 42' ' ' PRO . . . 81.11 13.86 80.21 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.55 1.156 . . . . 0.0 110.998 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.451 ' N ' ' HA ' ' A' ' 97' ' ' ASN . . . -167.72 176.81 6.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.448 0.734 . . . . 0.0 109.361 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -79.14 131.62 36.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.777 ' SG ' HD12 ' A' ' 100' ' ' LEU . 35.9 m -71.37 162.06 30.04 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.536 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.5 m -73.66 141.67 79.66 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.974 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_endo -60.3 -17.0 44.29 Favored 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.335 3.357 . . . . 0.0 109.595 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 54.2 p -87.74 -38.03 16.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.947 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -70.63 -5.66 31.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.324 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.57 ' HG3' HD12 ' A' ' 113' ' ' ILE . 2.6 tppt? -92.08 -65.77 0.98 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.405 ' HB2' ' HB2' ' A' ' 12' ' ' TYR . . . -49.74 -22.66 1.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.267 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.621 HD22 ' HB2' ' A' ' 30' ' ' ASP . 7.5 t-20 -77.23 -37.25 53.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.703 ' CE2' HD11 ' A' ' 116' ' ' LEU . 47.2 t80 -77.32 -45.71 25.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.7 ' O ' HD23 ' A' ' 117' ' ' LEU . 1.7 mt -55.76 -39.21 54.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 117' ' ' LEU . . . -63.9 -70.69 0.2 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.142 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.574 ' CD2' ' HA3' ' A' ' 31' ' ' GLY . 1.2 t80 -43.85 -29.45 0.55 Allowed 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 114.966 -1.015 . . . . 0.0 109.831 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.703 HD11 ' CE2' ' A' ' 112' ' ' PHE . 12.0 mt -73.58 -44.85 56.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.969 HD22 ' HB1' ' A' ' 5' ' ' ALA . 1.0 OUTLIER -92.16 30.29 1.47 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.451 179.94 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.1 m . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.41 -0.218 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.575 ' HB3' HD11 ' A' ' 85' ' ' ILE . 0.1 OUTLIER -84.82 -52.75 5.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.705 ' HB1' HD22 ' A' ' 117' ' ' LEU . . . -45.28 -47.22 12.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -56.77 -47.56 79.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.0 mmtm -55.86 -53.83 51.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.626 HD22 ' HE2' ' A' ' 12' ' ' TYR . 10.8 mt -47.76 -49.93 27.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 5' ' ' ALA . 59.8 t -60.03 -45.03 96.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -67.8 -12.88 61.51 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.843 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.418 ' HG3' HD12 ' A' ' 15' ' ' ILE . 7.3 tptt -95.83 -72.01 0.65 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.626 ' HE2' HD22 ' A' ' 8' ' ' LEU . 54.0 m-85 -45.69 -26.36 0.62 Allowed 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.829 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.418 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 22.4 m -74.0 -41.54 61.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 110.359 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.43 ' O ' ' N ' ' A' ' 18' ' ' SER . 16.3 t-20 -65.36 -60.16 3.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.418 HD12 ' HG3' ' A' ' 11' ' ' LYS . 2.9 mt -44.68 -48.12 2.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.29 -46.65 85.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.479 ' ND1' ' O ' ' A' ' 23' ' ' TYR . 9.4 t60 -65.71 -33.02 74.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 109.611 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 14' ' ' ASN . 44.5 t -67.08 -9.93 44.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.985 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -103.14 -39.8 6.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 109.346 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.411 ' O ' ' OD1' ' A' ' 20' ' ' ASN . 38.4 p-10 -140.77 135.2 15.4 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -85.12 46.02 1.74 Allowed 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.303 3.335 . . . . 0.0 109.64 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 6.7 ptt? -145.41 37.86 1.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 110.966 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.479 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 12.4 t80 -146.57 106.15 3.94 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.802 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -93.2 -49.3 6.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.324 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.595 ' HB1' ' HD2' ' A' ' 26' ' ' PRO . . . -152.09 167.59 12.9 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.595 ' HD2' ' HB1' ' A' ' 25' ' ' ALA . 59.8 Cg_endo -87.56 -173.27 1.0 Allowed 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.297 3.332 . . . . 0.0 109.602 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.458 ' OG ' ' N ' ' A' ' 28' ' ' ILE . 18.4 t -140.03 -176.43 4.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.974 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.458 ' N ' ' OG ' ' A' ' 27' ' ' SER . 6.2 pt -125.41 53.53 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.9 m -139.29 -45.23 0.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.387 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -58.55 -34.68 71.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.598 ' O ' ' CE1' ' A' ' 115' ' ' TYR . . . -69.42 69.29 0.52 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.49 1.119 . . . . 0.0 110.968 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.442 ' HG2' ' CE1' ' A' ' 115' ' ' TYR . 4.0 mmtp -165.23 -61.62 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.472 0.748 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 26.2 mt -68.39 -50.36 57.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.607 ' CZ ' ' OE1' ' A' ' 108' ' ' GLU . 14.2 t80 -54.65 -21.19 9.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.976 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.59 ' CD1' ' HB2' ' A' ' 49' ' ' CYS . 86.3 t80 -108.2 5.36 25.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.41 ' OD1' ' O ' ' A' ' 35' ' ' PHE . 85.8 m-20 -142.36 25.59 1.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -103.75 99.26 9.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.289 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -49.72 92.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.578 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 22.5 p90 -105.38 156.43 18.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 111.031 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.03 139.46 39.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.419 ' HB ' ' HD2' ' A' ' 42' ' ' PRO . 30.1 p -84.42 154.38 62.62 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.391 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.888 ' HG3' ' HA3' ' A' ' 101' ' ' GLY . 53.8 Cg_endo -62.09 -8.19 11.54 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.286 3.324 . . . . 0.0 109.629 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 p -103.35 34.43 2.93 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.525 1.141 . . . . 0.0 110.018 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 47.08 81.35 0.04 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.477 1.11 . . . . 0.0 110.967 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -176.88 140.69 0.33 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 0.742 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -97.41 124.94 41.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.271 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.47 -175.34 4.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.578 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -167.43 154.63 8.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.59 ' HB2' ' CD1' ' A' ' 35' ' ' PHE . 21.8 m -70.52 -7.84 46.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 108.302 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.459 ' HA ' ' O ' ' A' ' 54' ' ' THR . . . -106.31 4.19 28.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.95 -17.76 36.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.98 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 62' ' ' LYS . 66.9 m -124.72 -45.57 1.9 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 108.289 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.506 ' O ' ' O ' ' A' ' 54' ' ' THR . 59.3 m-70 -93.26 18.57 9.33 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.752 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.506 ' O ' ' O ' ' A' ' 53' ' ' HIS . 47.9 p 49.28 171.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 110.42 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -52.25 -24.73 7.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.085 . . . . 0.0 109.275 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -130.28 126.88 22.4 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.498 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 74.0 Cg_endo -70.85 -43.96 1.54 Allowed 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.32 3.347 . . . . 0.0 109.61 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.18 -18.42 3.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -87.1 176.45 7.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.45 HG22 ' HD3' ' A' ' 72' ' ' PRO . 74.8 t -78.61 121.7 32.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.16 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.476 ' HA2' HG23 ' A' ' 54' ' ' THR . . . -86.16 -170.27 46.8 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.528 1.142 . . . . 0.0 110.981 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 52' ' ' CYS . 1.4 ttmt -165.32 124.1 1.69 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 0.764 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.916 ' ND2' HD11 ' A' ' 70' ' ' ILE . 89.8 m-20 -79.42 128.55 33.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.0 pt -83.49 6.1 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 53.2 t -87.87 -54.65 7.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 63.5 p -107.41 -35.29 6.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 110.422 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 80.38 34.28 29.45 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.49 1.119 . . . . 0.0 110.965 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -79.92 -95.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 0.736 . . . . 0.0 109.269 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -178.38 122.19 0.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 110.301 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.916 HD11 ' ND2' ' A' ' 63' ' ' ASN . 2.2 mm -111.2 102.28 52.53 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.446 ' HB3' ' HD2' ' A' ' 72' ' ' PRO . 85.4 Cg_exo -50.64 169.99 0.15 Allowed 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.346 3.364 . . . . 0.0 109.579 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.45 ' HD3' HG22 ' A' ' 60' ' ' VAL . 74.6 Cg_exo -38.5 130.65 1.11 Allowed 'Trans proline' 0 N--CA 1.448 -1.175 0 C-N-CA 124.296 3.33 . . . . 0.0 109.608 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 75' ' ' PRO . 3.3 tp -87.19 -32.03 20.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.339 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 73' ' ' LEU . . . -36.93 97.07 0.12 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.695 ' CD ' HD13 ' A' ' 116' ' ' LEU . 24.6 Cg_exo -63.66 -14.27 41.71 Favored 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.323 3.349 . . . . 0.0 109.609 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.54 -44.24 8.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.507 HG12 ' OD1' ' A' ' 78' ' ' ASN . 19.3 t -50.81 -42.66 23.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.239 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.507 ' OD1' HG12 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -103.2 133.96 47.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.5 t -82.95 -1.91 53.64 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.533 1.145 . . . . 0.0 110.388 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt -102.71 29.97 5.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.511 ' CB ' ' HA ' ' A' ' 75' ' ' PRO . 6.5 mmt180 -125.3 -92.1 0.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.313 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.636 ' CD1' ' HB3' ' A' ' 75' ' ' PRO . 1.5 m-30 -66.64 68.06 0.06 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.429 1.081 . . . . 0.0 110.966 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.596 HG22 ' O ' ' A' ' 83' ' ' THR . 22.0 m -131.76 41.46 3.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.407 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -175.57 63.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.326 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.603 HG23 HD21 ' A' ' 8' ' ' LEU . 96.2 mt -41.06 -49.73 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 85' ' ' ILE . 0.3 OUTLIER -39.55 -57.1 1.53 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -101.72 94.06 5.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER 174.16 -34.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.435 1.084 . . . . 0.0 109.277 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.405 ' HA ' ' OH ' ' A' ' 12' ' ' TYR . 0.5 OUTLIER -74.39 -27.44 60.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -83.73 -50.41 8.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 3.7 mm-40 -52.94 -20.46 3.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.26 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.577 ' CD1' ' HD2' ' A' ' 109' ' ' LYS . 0.1 OUTLIER -79.58 -26.87 41.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.577 HG23 ' OD2' ' A' ' 103' ' ' ASP . 1.0 OUTLIER -87.76 -33.66 18.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.375 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -72.57 -34.3 67.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 1.168 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.574 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.2 t60 -63.75 -60.4 3.35 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.746 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.428 ' C ' ' O ' ' A' ' 102' ' ' ALA . 7.6 m -54.52 -26.89 34.45 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.589 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.462 ' HA ' ' N ' ' A' ' 102' ' ' ALA . 1.5 m-20 -77.7 -15.09 59.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -113.16 -0.97 14.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.574 HG13 ' CE1' ' A' ' 95' ' ' HIS . 22.3 mm -113.75 -57.31 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.525 HD12 ' SG ' ' A' ' 104' ' ' CYS . 63.9 mt -92.44 -19.17 22.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.888 ' HA3' ' HG3' ' A' ' 42' ' ' PRO . . . 93.27 13.3 56.2 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.488 1.118 . . . . 0.0 111.017 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.462 ' N ' ' HA ' ' A' ' 97' ' ' ASN . . . -163.15 -173.55 3.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 0.779 . . . . 0.0 109.263 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.577 ' OD2' HG23 ' A' ' 93' ' ' THR . 11.3 t0 -91.26 123.61 34.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.525 ' SG ' HD12 ' A' ' 100' ' ' LEU . 34.0 m -60.54 161.77 7.2 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.966 -1.015 . . . . 0.0 109.574 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' SER . . . . . 0.411 ' N ' ' HG2' ' A' ' 108' ' ' GLU . 0.9 OUTLIER -63.63 158.38 59.99 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.01 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -81.07 -24.45 4.66 Favored 'Trans proline' 0 N--CA 1.448 -1.188 0 C-N-CA 124.281 3.321 . . . . 0.0 109.537 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.49 -8.92 49.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.012 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.607 ' OE1' ' CZ ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -95.56 -21.51 18.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.277 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.823 ' O ' HD12 ' A' ' 113' ' ' ILE . 0.2 OUTLIER -72.8 -49.26 31.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.33 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.557 ' HB2' ' CB ' ' A' ' 12' ' ' TYR . . . -59.49 -43.45 93.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.155 . . . . 0.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.485 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 1.7 t-20 -49.96 -64.66 0.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.44 ' CE2' HD11 ' A' ' 116' ' ' LEU . 37.1 t80 -50.11 -46.69 53.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.823 HD12 ' O ' ' A' ' 109' ' ' LYS . 1.5 mt -54.32 -31.2 22.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 111' ' ' ASN . . . -74.4 -60.91 2.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.248 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.598 ' CE1' ' O ' ' A' ' 31' ' ' GLY . 0.6 OUTLIER -50.29 -32.67 17.58 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.795 -179.82 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.695 HD13 ' CD ' ' A' ' 75' ' ' PRO . 10.0 mt -73.07 -41.51 64.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.367 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.854 HD12 ' O ' ' A' ' 117' ' ' LEU . 1.3 pp -90.82 20.87 4.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.7 m . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 110.396 179.985 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.6 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.383 -0.228 . . . . 0.0 110.383 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -78.45 -48.18 15.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -49.34 -49.6 43.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -58.5 -40.69 83.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.45 -50.49 73.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.675 HD21 ' CG1' ' A' ' 85' ' ' ILE . 6.1 mt -54.23 -52.59 60.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.516 HG21 HD21 ' A' ' 117' ' ' LEU . 87.3 t -54.11 -47.34 66.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.312 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -77.68 4.92 10.33 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.809 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.5 mmtt -110.64 -72.36 0.72 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.153 . . . . 0.0 109.276 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.484 ' HE2' HD13 ' A' ' 8' ' ' LEU . 97.9 m-85 -51.39 -21.38 2.25 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.844 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.428 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 29.2 m -76.09 -48.09 22.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 110.392 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.408 ' O ' ' N ' ' A' ' 18' ' ' SER . 54.0 t-20 -62.94 -52.73 61.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.0 mt -50.71 -45.21 27.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.68 -37.75 88.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.508 ' ND1' ' O ' ' A' ' 23' ' ' TYR . 33.2 t60 -71.38 -27.11 63.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.57 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 14' ' ' ASN . 46.0 t -72.61 -25.12 61.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.064 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.78 -35.07 14.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.415 ' O ' ' HA ' ' A' ' 17' ' ' HIS . 1.4 t-20 -138.23 117.73 9.81 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -80.13 41.05 1.05 Allowed 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.362 3.375 . . . . 0.0 109.594 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.4 mtp -142.3 35.88 1.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 111.009 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.508 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 58.5 t80 -149.47 117.66 6.4 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.824 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -96.92 -46.91 6.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.307 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.678 ' HB1' ' CD ' ' A' ' 26' ' ' PRO . . . -167.14 176.45 1.73 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.678 ' CD ' ' HB1' ' A' ' 25' ' ' ALA . 15.6 Cg_exo -71.28 -171.21 0.57 Allowed 'Trans proline' 0 N--CA 1.446 -1.268 0 C-N-CA 124.348 3.365 . . . . 0.0 109.633 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.99 24.47 0.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.971 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 36.7 pt 42.51 49.44 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.253 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 39.5 m -131.29 -52.01 1.02 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.148 . . . . 0.0 110.351 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.493 ' HB2' ' ND2' ' A' ' 111' ' ' ASN . 1.0 OUTLIER -56.33 -39.06 72.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.098 . . . . 0.0 109.303 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.401 ' O ' ' CG ' ' A' ' 115' ' ' TYR . . . -71.79 58.46 1.33 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.525 1.14 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.504 ' HG2' ' CZ ' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -154.18 -63.57 0.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 0.784 . . . . 0.0 109.278 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 30.0 mt -78.17 -43.51 27.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -57.13 -22.04 37.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.962 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.598 ' CD1' ' CB ' ' A' ' 49' ' ' CYS . 87.2 t80 -106.81 7.05 30.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 111.013 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -143.57 26.84 1.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.468 ' O ' ' N ' ' A' ' 39' ' ' PHE . 2.4 tpm_? -103.92 93.69 5.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -47.32 94.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.612 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 26.8 p90 -101.45 163.43 12.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.15 134.53 53.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.426 ' HB ' ' HD2' ' A' ' 42' ' ' PRO . 23.0 p -84.05 154.59 63.98 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.378 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.814 ' HG3' ' HA3' ' A' ' 101' ' ' GLY . 61.6 Cg_endo -64.73 -6.03 11.58 Favored 'Trans proline' 0 N--CA 1.446 -1.29 0 C-N-CA 124.334 3.356 . . . . 0.0 109.61 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.8 p -98.27 8.93 44.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.073 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.03 75.46 0.5 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.445 1.091 . . . . 0.0 111.006 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -170.58 136.37 1.25 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 0.777 . . . . 0.0 109.318 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -91.02 122.33 33.59 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 110.316 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.94 -177.11 4.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.426 1.079 . . . . 0.0 109.37 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.612 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -167.07 155.06 9.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.108 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.598 ' CB ' ' CD1' ' A' ' 35' ' ' PHE . 31.0 m -68.78 -9.29 50.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 108.342 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.423 ' HA ' ' O ' ' A' ' 54' ' ' THR . . . -106.61 3.19 26.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.409 ' HB2' ' O ' ' A' ' 48' ' ' ALA . 0.4 OUTLIER -83.61 -18.05 39.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.994 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 57.4 m -125.17 -46.28 1.81 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 108.354 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.912 ' CE1' HD23 ' A' ' 73' ' ' LEU . 74.4 m-70 -91.67 16.91 9.66 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.759 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.523 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 43.2 p 50.65 168.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.391 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.407 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 9.0 p30 -51.88 -25.82 8.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -129.05 123.39 21.78 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.522 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 55.2 Cg_endo -68.98 -38.79 8.98 Favored 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.3 3.333 . . . . 0.0 109.652 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.627 ' HA ' ' HB2' ' A' ' 74' ' ' ALA . . . -59.6 -14.68 14.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -93.22 169.16 10.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 27.6 t -70.13 136.12 26.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.351 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -109.52 -178.64 21.21 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.552 1.158 . . . . 0.0 110.96 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.0 ttmm -156.56 136.96 13.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 0.774 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.922 ' ND2' HD11 ' A' ' 70' ' ' ILE . 87.0 m-20 -87.01 130.57 34.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.5 pt -85.99 9.7 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.348 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 61.7 t -91.48 -55.34 6.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 71.3 p -109.03 -33.3 6.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.403 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 79.71 35.18 29.19 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -78.14 -92.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 0.0 109.298 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -179.01 119.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.294 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.922 HD11 ' ND2' ' A' ' 63' ' ' ASN . 3.2 mm -108.93 122.9 38.56 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -70.94 160.03 50.64 Favored 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.327 3.352 . . . . 0.0 109.608 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.412 ' HB3' ' O ' ' A' ' 58' ' ' ALA . 4.6 Cg_endo -45.67 129.64 11.74 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.33 3.353 . . . . 0.0 109.573 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.912 HD23 ' CE1' ' A' ' 53' ' ' HIS . 0.1 OUTLIER -75.68 -29.79 59.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.304 -179.914 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.627 ' HB2' ' HA ' ' A' ' 58' ' ' ALA . . . -30.48 108.39 0.25 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.567 ' HB2' ' CD2' ' A' ' 82' ' ' PHE . 81.3 Cg_endo -79.32 44.25 1.66 Allowed 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 124.329 3.353 . . . . 0.0 109.612 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.9 ttp85 -157.19 -54.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.312 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.463 HG12 ' OD1' ' A' ' 78' ' ' ASN . 14.3 t -40.82 -42.91 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.481 ' N ' ' OD1' ' A' ' 78' ' ' ASN . 0.2 OUTLIER -100.54 154.0 18.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.5 p -94.67 3.9 54.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.408 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.54 49.81 1.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 50.3 mmt-85 -140.71 157.06 45.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 110.308 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.567 ' CD2' ' HB2' ' A' ' 75' ' ' PRO . 3.7 m-30 44.98 51.11 8.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 91.1 m -81.39 -61.79 1.84 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 110.436 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -87.24 94.07 9.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.341 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.675 ' CG1' HD21 ' A' ' 8' ' ' LEU . 13.7 tt -63.94 -12.7 12.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -76.99 -65.89 0.89 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.252 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.88 58.25 3.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.122 . . . . 0.0 109.292 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -140.77 -39.49 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.348 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.32 -42.7 79.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -69.53 -46.17 67.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.407 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 3.4 mm-40 -55.67 -19.87 12.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -83.4 -23.0 32.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.963 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.411 ' OG1' ' CG ' ' A' ' 103' ' ' ASP . 1.0 OUTLIER -92.0 -32.6 15.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.395 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.85 -32.86 63.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.578 1.173 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.566 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.4 t60 -66.13 -58.12 6.14 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.754 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.423 ' C ' ' O ' ' A' ' 102' ' ' ALA . 6.2 m -56.13 -26.15 49.0 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.617 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.462 ' HA ' ' N ' ' A' ' 102' ' ' ALA . 1.8 m-80 -78.0 -13.49 59.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.573 1.171 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -118.54 6.5 11.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.566 HG13 ' CE1' ' A' ' 95' ' ' HIS . 18.3 mm -121.88 -48.2 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.545 HD12 ' SG ' ' A' ' 104' ' ' CYS . 48.0 mt -102.7 -25.26 13.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.814 ' HA3' ' HG3' ' A' ' 42' ' ' PRO . . . 102.91 10.86 36.16 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.527 1.142 . . . . 0.0 110.962 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.462 ' N ' ' HA ' ' A' ' 97' ' ' ASN . . . -166.51 -176.76 3.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.433 0.725 . . . . 0.0 109.311 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.411 ' CG ' ' OG1' ' A' ' 93' ' ' THR . 47.0 t0 -85.19 132.5 34.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.545 ' SG ' HD12 ' A' ' 100' ' ' LEU . 55.9 m -73.9 160.55 31.24 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.6 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.1 m -72.14 141.64 84.01 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.984 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -61.09 -16.41 45.74 Favored 'Trans proline' 0 N--CA 1.446 -1.285 0 C-N-CA 124.342 3.362 . . . . 0.0 109.601 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 60.8 p -89.45 -38.89 13.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.976 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -61.7 -23.08 65.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 110.315 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.454 ' C ' ' N ' ' A' ' 111' ' ' ASN . 36.8 mtmt -88.01 -56.9 3.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.464 ' HB2' ' CB ' ' A' ' 12' ' ' TYR . . . -40.28 -29.44 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.493 ' ND2' ' HB2' ' A' ' 30' ' ' ASP . 6.4 t-20 -79.49 -58.1 3.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.665 ' CE2' HD22 ' A' ' 116' ' ' LEU . 78.9 t80 -46.55 -44.58 18.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.978 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.564 ' O ' HD23 ' A' ' 117' ' ' LEU . 1.3 mt -56.93 -35.94 48.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 117' ' ' LEU . . . -67.35 -67.79 0.43 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.15 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.504 ' CZ ' ' HG2' ' A' ' 32' ' ' LYS . 1.3 t80 -45.02 -31.11 1.2 Allowed 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.796 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.665 HD22 ' CE2' ' A' ' 112' ' ' PHE . 0.4 OUTLIER -73.21 -40.96 64.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.773 HD12 ' O ' ' A' ' 117' ' ' LEU . 1.1 pp -92.31 23.12 4.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.634 HG23 ' O ' ' A' ' 118' ' ' THR . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.45 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.1 m . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.348 -0.241 . . . . 0.0 110.348 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.48 ' HB3' ' CG1' ' A' ' 85' ' ' ILE . 0.2 OUTLIER -81.87 -50.48 9.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.949 ' HB1' HD21 ' A' ' 117' ' ' LEU . . . -51.9 -52.12 52.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -60.67 -35.46 76.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.29 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 11' ' ' LYS . 0.7 OUTLIER -62.63 -50.35 71.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.788 HD11 ' CG1' ' A' ' 88' ' ' VAL . 6.5 mt -52.38 -45.6 65.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.336 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.519 HG22 HG22 ' A' ' 113' ' ' ILE . 82.7 t -58.81 -56.84 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.255 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -69.38 -5.03 20.83 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.813 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 7' ' ' LYS . 19.3 mmtt -97.73 -72.05 0.66 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.353 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.791 ' CB ' ' HB2' ' A' ' 110' ' ' ALA . 74.7 m-85 -52.48 -21.06 3.35 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.859 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.48 ' CG2' ' O ' ' A' ' 24' ' ' GLU . 24.1 m -77.27 -49.86 14.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.38 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.53 -54.99 39.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.7 mt -50.74 -51.77 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.94 -56.83 10.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.406 ' HA ' ' O ' ' A' ' 20' ' ' ASN . 72.6 t60 -59.64 -31.44 69.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.648 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 43.3 t -70.34 -14.16 62.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.017 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -101.48 -40.92 6.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.406 ' O ' ' HA ' ' A' ' 17' ' ' HIS . 1.0 OUTLIER -139.13 126.15 12.88 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.33 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -70.11 -3.27 11.9 Favored 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.282 3.321 . . . . 0.0 109.602 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -82.91 -41.17 19.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -82.81 129.53 35.0 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.818 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.48 ' O ' ' CG2' ' A' ' 13' ' ' THR . 2.7 mt-10 -121.76 -44.1 2.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.272 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.679 ' HB1' ' CD ' ' A' ' 26' ' ' PRO . . . -165.52 176.35 2.03 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.679 ' CD ' ' HB1' ' A' ' 25' ' ' ALA . 13.4 Cg_exo -72.17 173.77 12.45 Favored 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.332 3.354 . . . . 0.0 109.618 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.441 ' C ' ' N ' ' A' ' 29' ' ' THR . 0.1 OUTLIER -145.09 18.46 1.59 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 109.988 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.468 ' C ' ' CE2' ' A' ' 115' ' ' TYR . 24.0 pt 40.21 29.91 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.322 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.573 ' O ' HG22 ' A' ' 29' ' ' THR . 2.0 m -138.94 11.8 2.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 110.365 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.84 -37.32 3.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.456 ' N ' ' OD1' ' A' ' 111' ' ' ASN . . . -77.85 53.6 3.72 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.515 1.134 . . . . 0.0 111.019 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.502 ' HG2' ' CZ ' ' A' ' 115' ' ' TYR . 0.1 OUTLIER -134.51 -65.98 0.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 0.75 . . . . 0.0 109.317 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 43.9 mt -67.39 -28.93 43.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.255 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.446 ' CZ ' ' OE1' ' A' ' 108' ' ' GLU . 45.7 t80 -71.59 -19.05 62.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.968 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.58 ' CD1' ' HB2' ' A' ' 49' ' ' CYS . 81.2 t80 -107.99 7.23 27.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.59 1.181 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 3.7 m-80 -137.32 21.18 2.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.258 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.3 ttt85 -96.96 115.34 27.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.307 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.8 ttmm -71.01 97.68 1.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.418 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 32.1 p90 -106.21 162.74 13.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 111.023 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.424 ' HG2' ' N ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -106.75 137.87 43.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -111.11 149.04 39.92 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.405 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -80.54 45.47 1.99 Allowed 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 124.35 3.367 . . . . 0.0 109.621 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.5 t 179.69 57.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.025 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 151.04 -98.36 0.18 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.491 1.119 . . . . 0.0 111.03 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.522 ' O ' ' C ' ' A' ' 46' ' ' GLU . 0.1 OUTLIER 175.72 172.7 0.32 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 0.754 . . . . 0.0 109.311 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.522 ' C ' ' O ' ' A' ' 45' ' ' LYS . 0.2 OUTLIER -28.14 136.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.295 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -149.07 -170.2 3.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.418 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -171.87 148.64 2.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.259 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.58 ' HB2' ' CD1' ' A' ' 35' ' ' PHE . 33.6 m -62.25 -15.3 46.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 108.293 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.433 ' HA ' ' O ' ' A' ' 54' ' ' THR . . . -98.6 4.08 48.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 109.34 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 83.7 p -75.77 -27.26 57.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 109.995 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 65.6 m -120.18 -47.09 2.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.163 . . . . 0.0 108.324 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.511 ' O ' ' OG1' ' A' ' 54' ' ' THR . 65.4 m-70 -84.22 14.62 4.14 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.76 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.511 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 45.6 p 50.06 172.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 110.369 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -52.41 -23.38 5.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.246 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -133.33 128.49 20.32 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.503 ' CB ' HD23 ' A' ' 73' ' ' LEU . 83.6 Cg_endo -72.81 -40.67 1.8 Allowed 'Trans proline' 0 N--CA 1.448 -1.169 0 C-N-CA 124.317 3.345 . . . . 0.0 109.585 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.418 ' HA ' ' HB2' ' A' ' 74' ' ' ALA . . . -57.63 -16.61 11.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 109.305 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -88.98 173.83 8.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.1 t -75.71 118.94 22.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.456 ' HA2' HG23 ' A' ' 54' ' ' THR . . . -89.5 -174.53 46.0 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.487 1.117 . . . . 0.0 111.036 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -161.39 135.63 6.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 0.754 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.943 ' ND2' HD11 ' A' ' 70' ' ' ILE . 87.2 m-20 -86.5 129.57 34.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 7.5 pt -83.42 5.91 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 71.0 t -86.24 -55.02 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.344 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 67.7 p -108.01 -33.31 7.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.105 . . . . 0.0 110.39 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 81.07 36.97 20.13 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.7 -95.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.771 . . . . 0.0 109.338 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -178.62 122.86 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.332 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.943 HD11 ' ND2' ' A' ' 63' ' ' ASN . 3.0 mm -108.42 107.12 59.86 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.415 ' HB3' ' HD2' ' A' ' 72' ' ' PRO . 77.8 Cg_exo -49.84 165.76 0.29 Allowed 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 124.282 3.322 . . . . 0.0 109.651 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.439 ' O ' ' ND2' ' A' ' 78' ' ' ASN . 1.4 Cg_endo -42.47 126.69 4.09 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.337 3.358 . . . . 0.0 109.575 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.503 HD23 ' CB ' ' A' ' 57' ' ' PRO . 7.4 tp -76.89 -31.49 56.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.629 ' HB3' ' HB ' ' A' ' 77' ' ' VAL . . . -37.98 98.28 0.16 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.604 ' HB3' ' CD1' ' A' ' 82' ' ' PHE . 24.0 Cg_exo -63.3 -15.97 51.57 Favored 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.378 3.385 . . . . 0.0 109.603 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -96.92 -44.36 7.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.321 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.629 ' HB ' ' HB3' ' A' ' 74' ' ' ALA . 41.5 t -54.85 -40.51 52.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 72' ' ' PRO . 0.5 OUTLIER -93.86 136.49 34.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.279 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.3 p -84.79 -3.61 58.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.374 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 11.9 mttm -111.15 43.75 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.248 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.473 ' CB ' ' HA ' ' A' ' 75' ' ' PRO . 46.6 mmt-85 -144.65 170.38 16.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.293 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.604 ' CD1' ' HB3' ' A' ' 75' ' ' PRO . 1.9 m-30 37.92 68.54 0.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 11.7 m -108.32 -68.44 0.91 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.443 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 52.9 t0 -76.64 114.47 15.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.48 ' CG1' ' HB3' ' A' ' 4' ' ' ASN . 9.3 mt -61.93 -41.63 91.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.56 -70.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 88' ' ' VAL . 7.5 tttt -45.6 -66.61 0.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.788 ' CG1' HD11 ' A' ' 8' ' ' LEU . 0.9 OUTLIER -37.86 -41.04 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.317 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -98.85 72.3 1.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.317 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -174.46 -68.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.348 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.495 ' HG3' ' N ' ' A' ' 92' ' ' PHE . 7.0 pt-20 -57.44 -36.67 71.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.547 ' CD1' ' HD2' ' A' ' 109' ' ' LYS . 0.1 OUTLIER -47.1 -32.85 4.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.671 HG23 ' CG ' ' A' ' 103' ' ' ASP . 0.9 OUTLIER -85.0 -44.62 12.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.411 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.12 -23.1 66.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.461 ' O ' ' CG1' ' A' ' 99' ' ' ILE . 1.9 t60 -68.98 -56.73 6.89 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.784 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 21.0 m -62.2 -30.52 71.14 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.331 -0.85 . . . . 0.0 109.571 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -76.86 -16.74 59.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -119.5 15.9 12.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.461 ' CG1' ' O ' ' A' ' 95' ' ' HIS . 7.0 mm -131.76 -44.95 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.5 mt -103.77 -36.97 7.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 111.21 18.53 8.12 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.508 1.13 . . . . 0.0 110.969 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -163.85 -176.48 4.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 0.789 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.671 ' CG ' HG23 ' A' ' 93' ' ' THR . 2.3 t0 -97.25 109.11 21.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.409 ' O ' ' O ' ' A' ' 103' ' ' ASP . 6.1 m -43.41 164.91 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.59 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' SER . . . . . 0.462 ' O ' ' HG3' ' A' ' 108' ' ' GLU . 10.4 p -84.13 153.24 62.88 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.997 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.402 ' HD2' ' HB2' ' A' ' 105' ' ' SER . 43.1 Cg_endo -69.69 -8.96 24.95 Favored 'Trans proline' 0 N--CA 1.446 -1.278 0 C-N-CA 124.328 3.352 . . . . 0.0 109.615 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 60.5 p -93.46 -46.45 7.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 0.0 109.99 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.47 ' CD ' ' C ' ' A' ' 108' ' ' GLU . 1.6 pp20? -64.8 -19.71 65.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.3 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.547 ' HD2' ' CD1' ' A' ' 92' ' ' PHE . 2.8 tppp? -75.8 -62.88 1.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.791 ' HB2' ' CB ' ' A' ' 12' ' ' TYR . . . -51.3 -26.09 6.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.456 ' OD1' ' N ' ' A' ' 31' ' ' GLY . 5.7 t-20 -72.14 -64.13 1.0 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.334 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.867 ' CE2' HD11 ' A' ' 116' ' ' LEU . 89.5 t80 -43.67 -45.65 7.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 110.959 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.519 HG22 HG22 ' A' ' 9' ' ' VAL . 1.9 mt -55.48 -42.07 66.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 116' ' ' LEU . . . -60.13 -73.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.502 ' CZ ' ' HG2' ' A' ' 32' ' ' LYS . 0.2 OUTLIER -39.55 -29.02 0.05 OUTLIER 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.047 -0.979 . . . . 0.0 109.841 -179.938 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.867 HD11 ' CE2' ' A' ' 112' ' ' PHE . 13.8 mt -76.24 -51.51 11.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.949 HD21 ' HB1' ' A' ' 5' ' ' ALA . 11.8 mt -64.83 -19.95 66.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 110.42 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 110.345 -0.242 . . . . 0.0 110.345 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.712 ' CG ' HD11 ' A' ' 85' ' ' ILE . 0.5 OUTLIER -75.4 -46.1 34.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -49.81 -47.87 51.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -66.89 -32.15 73.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 110.336 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.54 -46.57 72.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 0.0 109.256 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.415 HD11 HG11 ' A' ' 88' ' ' VAL . 6.9 mt -55.39 -49.31 72.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.261 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.51 HG21 HD21 ' A' ' 117' ' ' LEU . 73.5 t -57.01 -51.02 74.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -71.33 -3.32 20.01 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.791 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -102.14 -73.4 0.66 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.832 ' HB2' ' HB2' ' A' ' 110' ' ' ALA . 81.7 m-85 -48.77 -22.79 0.87 Allowed 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.855 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.437 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 48.2 m -77.61 -50.62 12.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.38 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -59.89 -54.09 50.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.0 mt -49.02 -48.95 16.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.19 -51.06 71.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.447 ' ND1' ' O ' ' A' ' 23' ' ' TYR . 72.4 t60 -58.01 -29.32 65.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.595 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 28.0 t -71.07 -23.67 62.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.0 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -87.92 -37.98 15.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -140.33 129.17 13.14 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -84.87 40.82 0.87 Allowed 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 124.303 3.335 . . . . 0.0 109.627 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.4 ptt? -141.39 32.56 1.69 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 111.037 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.447 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 77.8 t80 -153.11 111.76 3.71 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.849 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -93.15 -47.98 6.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 0.0 110.345 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.662 ' HB1' ' CD ' ' A' ' 26' ' ' PRO . . . -165.35 175.83 2.28 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.662 ' CD ' ' HB1' ' A' ' 25' ' ' ALA . 16.8 Cg_exo -70.83 -174.04 1.02 Allowed 'Trans proline' 0 N--CA 1.447 -1.255 0 C-N-CA 124.336 3.357 . . . . 0.0 109.609 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.48 20.35 0.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.954 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.689 HG21 HG21 ' A' ' 118' ' ' THR . 31.4 pt 41.76 49.1 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.416 ' O ' HG22 ' A' ' 29' ' ' THR . 89.0 m -151.94 35.82 0.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.117 . . . . 0.0 110.335 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -142.24 -47.12 0.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.354 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -49.35 -23.75 4.6 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 111.035 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.424 ' HD2' ' N ' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -74.94 -42.05 58.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 0.751 . . . . 0.0 109.319 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.596 HG23 ' O ' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -88.26 7.83 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.513 ' CG ' ' O ' ' A' ' 34' ' ' PHE . 80.0 t80 -126.47 31.23 5.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.569 ' CD1' ' HB2' ' A' ' 49' ' ' CYS . 34.2 t80 -146.46 -40.66 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -100.76 -5.23 26.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.42 ' HD2' HD12 ' A' ' 33' ' ' ILE . 22.3 ttt85 -68.15 96.48 0.64 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -55.41 100.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.575 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 29.0 p90 -106.26 162.25 13.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 110.965 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.6 ttmt -103.59 153.44 20.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 43.6 p -107.97 153.46 41.67 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 110.429 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.787 ' HG3' ' HA3' ' A' ' 101' ' ' GLY . 64.0 Cg_endo -65.13 -7.84 16.68 Favored 'Trans proline' 0 N--CA 1.447 -1.259 0 C-N-CA 124.342 3.361 . . . . 0.0 109.625 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 p -104.15 32.75 3.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 110.003 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 38.48 78.57 0.05 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.455 1.097 . . . . 0.0 111.021 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.6 tttp -179.84 88.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 0.781 . . . . 0.0 109.266 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.67 153.51 0.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -160.93 -169.26 2.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.575 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -172.82 157.5 3.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.569 ' HB2' ' CD1' ' A' ' 35' ' ' PHE . 49.5 m -72.93 -10.34 59.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 108.31 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.444 ' HA ' ' O ' ' A' ' 54' ' ' THR . . . -102.27 1.69 36.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.401 ' HB2' ' O ' ' A' ' 48' ' ' ALA . 0.4 OUTLIER -81.73 -15.27 54.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.99 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 26.4 m -128.61 -48.01 1.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 108.261 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.494 ' O ' ' O ' ' A' ' 54' ' ' THR . 84.3 m-70 -89.76 17.82 6.2 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.761 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.573 HG23 ' HA2' ' A' ' 61' ' ' GLY . 66.2 p 49.39 172.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 110.362 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -56.78 -24.08 47.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.107 . . . . 0.0 109.269 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -131.65 126.94 21.26 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.367 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -71.32 -41.66 2.36 Favored 'Trans proline' 0 N--CA 1.447 -1.237 0 C-N-CA 124.281 3.321 . . . . 0.0 109.641 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.23 -17.37 7.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.271 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -89.42 172.91 8.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.703 HG22 ' HD3' ' A' ' 72' ' ' PRO . 74.1 t -76.07 121.8 28.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.573 ' HA2' HG23 ' A' ' 54' ' ' THR . . . -88.97 -173.6 46.59 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.507 1.129 . . . . 0.0 111.002 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.7 ttmt -163.96 135.08 4.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 0.792 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.881 ' ND2' HD11 ' A' ' 70' ' ' ILE . 90.4 m-20 -86.61 130.12 34.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.6 pt -84.56 6.22 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 58.8 t -87.43 -53.52 9.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.268 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 71.1 p -108.99 -33.34 6.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 110.428 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 80.86 35.6 24.4 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.467 1.104 . . . . 0.0 111.025 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.406 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 2.4 mmtp -81.35 -95.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 0.772 . . . . 0.0 109.244 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.406 ' HB3' ' O ' ' A' ' 68' ' ' LYS . 12.0 pt-20 -179.95 123.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.881 HD11 ' ND2' ' A' ' 63' ' ' ASN . 1.8 mm -114.78 92.26 29.1 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.404 ' HD3' ' O ' ' A' ' 69' ' ' GLU . 75.1 Cg_exo -45.73 164.82 0.07 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.321 3.347 . . . . 0.0 109.607 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.703 ' HD3' HG22 ' A' ' 60' ' ' VAL . 75.0 Cg_exo -34.2 134.41 0.13 Allowed 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.319 3.346 . . . . 0.0 109.626 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 74' ' ' ALA . 7.1 tp -98.56 -26.56 14.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 73' ' ' LEU . . . -35.88 115.67 0.6 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.567 ' HB2' ' CD2' ' A' ' 82' ' ' PHE . 72.2 Cg_endo -80.32 45.26 1.92 Allowed 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.299 3.333 . . . . 0.0 109.594 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 10.7 ttt180 -154.37 -57.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 110.26 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.48 HG12 ' OD1' ' A' ' 78' ' ' ASN . 18.9 t -44.85 -41.07 2.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.48 ' OD1' HG12 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -103.72 141.77 35.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 16.9 p -85.07 -0.49 54.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.434 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.48 43.8 1.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.259 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 38.6 mmt-85 -142.73 162.41 35.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.567 ' CD2' ' HB2' ' A' ' 75' ' ' PRO . 2.1 m-30 39.08 57.81 1.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 111.034 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.729 HG22 ' O ' ' A' ' 83' ' ' THR . 1.7 m -129.62 54.62 1.82 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.372 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.435 ' C ' ' N ' ' A' ' 86' ' ' ASP . 39.9 p-10 177.31 66.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.712 HD11 ' CG ' ' A' ' 4' ' ' ASN . 4.3 mp -40.28 -30.07 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.435 ' N ' ' C ' ' A' ' 84' ' ' ASP . 0.6 OUTLIER -54.95 -69.98 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.9 mttp -75.95 66.31 2.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.333 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.415 HG11 HD11 ' A' ' 8' ' ' LEU . 1.1 t -150.76 -49.85 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.39 59.97 0.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.315 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 170.22 -45.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.265 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -58.43 -16.36 14.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.54 ' CD1' ' HD2' ' A' ' 109' ' ' LYS . 0.2 OUTLIER -91.86 -23.14 19.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.997 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.492 ' CG2' ' OD2' ' A' ' 103' ' ' ASP . 1.0 OUTLIER -90.0 -36.67 14.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.432 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt -70.55 -28.82 65.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.477 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.2 t60 -70.88 -59.33 2.85 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.768 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.4 ' C ' ' O ' ' A' ' 102' ' ' ALA . 10.1 m -55.85 -22.23 24.04 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.342 -0.844 . . . . 0.0 109.619 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -83.62 -11.07 57.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.467 ' O ' HD13 ' A' ' 99' ' ' ILE . 0.5 OUTLIER -120.78 9.19 10.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.477 HG13 ' CE1' ' A' ' 95' ' ' HIS . 45.8 mm -125.64 -44.43 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.419 ' O ' ' HD3' ' A' ' 42' ' ' PRO . 50.3 mt -105.2 -29.21 10.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.787 ' HA3' ' HG3' ' A' ' 42' ' ' PRO . . . 103.64 13.94 26.66 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.118 . . . . 0.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 96' ' ' CYS . . . -164.09 -176.69 4.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 0.755 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.492 ' OD2' ' CG2' ' A' ' 93' ' ' THR . 28.9 t0 -90.95 125.52 35.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 25.3 m -62.31 160.52 13.08 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.583 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.0 m -74.78 145.62 81.87 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.477 1.111 . . . . 0.0 109.974 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -60.48 -17.58 48.9 Favored 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 124.32 3.347 . . . . 0.0 109.585 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 78.3 p -86.78 -40.62 14.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.982 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -70.17 -8.18 47.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.345 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.662 ' O ' HD12 ' A' ' 113' ' ' ILE . 0.1 OUTLIER -83.38 -60.54 2.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.832 ' HB2' ' HB2' ' A' ' 12' ' ' TYR . . . -55.62 -34.15 64.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -57.35 -64.39 0.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.655 ' CE2' HD11 ' A' ' 116' ' ' LEU . 70.8 t80 -49.8 -43.22 48.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.662 HD12 ' O ' ' A' ' 109' ' ' LYS . 1.7 mt -56.29 -38.68 56.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 117' ' ' LEU . . . -66.22 -68.5 0.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.417 ' CZ ' ' HB3' ' A' ' 32' ' ' LYS . 0.3 OUTLIER -44.58 -34.56 2.19 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.021 -0.991 . . . . 0.0 109.832 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.655 HD11 ' CE2' ' A' ' 112' ' ' PHE . 7.9 mt -70.78 -41.86 71.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.886 HD12 ' O ' ' A' ' 117' ' ' LEU . 1.1 pp -90.78 17.69 7.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.689 HG21 HG21 ' A' ' 28' ' ' ILE . 23.2 m . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.4 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.9 m . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.438 -0.208 . . . . 0.0 110.438 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.937 ' HB3' HD12 ' A' ' 85' ' ' ILE . 5.2 m-20 -90.42 -54.98 3.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.921 ' HB1' HD21 ' A' ' 117' ' ' LEU . . . -49.36 -51.03 37.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.7 tp10 -52.58 -40.88 63.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 110.272 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.417 ' HD2' ' N ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -62.7 -54.24 42.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.28 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.455 ' HG ' HD11 ' A' ' 85' ' ' ILE . 11.5 mt -47.93 -39.81 20.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 5' ' ' ALA . 44.4 t -67.02 -49.56 72.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -71.51 -2.7 17.75 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.835 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.8 mptt -104.71 -75.79 0.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.528 ' CB ' ' HB2' ' A' ' 110' ' ' ALA . 59.5 m-85 -45.35 -25.15 0.36 Allowed 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.843 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.443 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 54.1 m -74.94 -55.46 5.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.347 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -54.55 -56.51 18.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.7 mt -47.48 -50.95 7.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.18 -48.54 78.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.448 ' ND1' ' O ' ' A' ' 23' ' ' TYR . 74.2 t60 -62.11 -31.39 71.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.592 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 37.6 t -70.34 -20.47 62.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.004 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -97.31 -33.68 11.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.401 ' O ' ' HA ' ' A' ' 17' ' ' HIS . 0.7 OUTLIER -138.0 115.42 9.42 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -77.89 41.88 1.08 Allowed 'Trans proline' 0 N--CA 1.448 -1.178 0 C-N-CA 124.284 3.322 . . . . 0.0 109.61 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 9.5 ptm -144.49 33.02 1.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 111.021 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.448 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 72.7 t80 -152.6 114.96 4.46 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 114.953 -1.021 . . . . 0.0 109.825 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -95.75 -48.65 5.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.313 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.687 ' HB1' ' CD ' ' A' ' 26' ' ' PRO . . . -160.76 176.8 2.33 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.425 1.078 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.687 ' CD ' ' HB1' ' A' ' 25' ' ' ALA . 24.6 Cg_exo -68.04 167.22 22.31 Favored 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.37 3.38 . . . . 0.0 109.606 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.412 ' O ' ' CG1' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -132.45 13.64 4.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.954 -179.924 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.412 ' CG1' ' O ' ' A' ' 27' ' ' SER . 46.2 pt 44.7 56.61 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 52.0 m -140.46 -53.51 0.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.407 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -64.61 -27.12 68.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.152 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.533 ' HA3' ' CD2' ' A' ' 115' ' ' TYR . . . -70.5 57.95 0.91 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.468 1.105 . . . . 0.0 110.987 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.505 ' HG2' ' CZ ' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -156.01 -64.64 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 0.756 . . . . 0.0 109.298 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 55.6 mt -63.62 -52.17 60.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -54.34 -20.59 7.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 111.012 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.427 ' O ' ' OD1' ' A' ' 36' ' ' ASN . 82.1 t80 -108.13 5.77 26.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 110.966 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.427 ' OD1' ' O ' ' A' ' 35' ' ' PHE . 84.2 m-20 -143.81 27.57 1.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -107.8 94.86 5.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.279 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.4 ttpp -49.49 94.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.567 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 24.4 p90 -98.49 164.5 12.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 67.6 tttt -107.42 140.68 39.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.418 ' HB ' ' HD2' ' A' ' 42' ' ' PRO . 19.4 p -97.36 154.24 38.11 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.378 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.778 ' HG3' ' HA3' ' A' ' 101' ' ' GLY . 58.6 Cg_endo -63.96 -7.62 13.81 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.332 3.355 . . . . 0.0 109.556 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 44' ' ' GLY . 1.1 p -105.31 32.42 4.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.035 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 43' ' ' SER . . . 37.7 81.68 0.02 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 179.53 82.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 0.746 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -41.68 153.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -164.36 -176.04 4.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.567 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -162.09 155.95 21.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.511 ' O ' ' HB2' ' A' ' 53' ' ' HIS . 85.8 m -69.8 -9.48 54.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 108.302 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.549 ' HB1' ' HA ' ' A' ' 55' ' ' ASN . . . -110.44 10.51 23.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.58 -40.28 56.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.995 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 43.4 m -109.57 -32.77 7.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 108.296 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.512 ' O ' ' OG1' ' A' ' 54' ' ' THR . 70.7 m-70 -94.26 13.7 22.62 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.785 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.537 ' C ' ' HB1' ' A' ' 50' ' ' ALA . 47.7 p 50.2 172.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.112 . . . . 0.0 110.388 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.549 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 4.6 p30 -59.25 -18.05 33.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -131.2 126.27 21.38 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -71.7 -48.21 0.42 Allowed 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.271 3.314 . . . . 0.0 109.652 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.403 ' HA ' ' HB2' ' A' ' 74' ' ' ALA . . . -53.16 -19.72 3.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -84.41 178.28 7.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 38.5 t -79.03 153.35 4.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -127.97 -174.98 13.91 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.486 1.116 . . . . 0.0 110.982 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -176.72 132.53 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 0.765 . . . . 0.0 109.255 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -80.45 136.49 36.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.0 pt -88.69 12.45 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 109.272 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 55.9 t -92.67 -54.78 6.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 72.5 p -102.74 -30.81 10.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.39 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 85.63 43.55 6.44 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.488 1.117 . . . . 0.0 111.028 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.61 -169.17 2.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.55 0.794 . . . . 0.0 109.35 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -121.09 98.83 6.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.276 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.573 HG23 ' HD2' ' A' ' 71' ' ' PRO . 3.8 mm -83.22 135.46 44.42 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.573 ' HD2' HG23 ' A' ' 70' ' ' ILE . 72.9 Cg_endo -76.81 170.13 20.42 Favored 'Trans proline' 0 N--CA 1.448 -1.175 0 C-N-CA 124.271 3.314 . . . . 0.0 109.593 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.471 ' HD2' ' CB ' ' A' ' 71' ' ' PRO . 6.1 Cg_endo -46.07 131.13 13.96 Favored 'Trans proline' 0 N--CA 1.447 -1.26 0 C-N-CA 124.261 3.307 . . . . 0.0 109.64 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.455 ' O ' ' C ' ' A' ' 74' ' ' ALA . 9.1 tp -86.86 -27.89 23.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.341 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.455 ' C ' ' O ' ' A' ' 73' ' ' LEU . . . -36.5 114.58 0.62 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.684 ' HG3' HD23 ' A' ' 116' ' ' LEU . 84.2 Cg_endo -79.48 47.76 2.62 Favored 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.319 3.346 . . . . 0.0 109.626 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.664 ' CZ ' HD22 ' A' ' 117' ' ' LEU . 13.7 ttm180 -159.73 -58.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.256 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 31.4 t -42.58 -42.39 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.269 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.507 ' OD1' ' N ' ' A' ' 78' ' ' ASN . 0.4 OUTLIER -118.92 114.25 22.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 19.4 p -58.25 -16.37 13.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.42 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.5 mmpt? -64.53 -21.62 66.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.443 ' CB ' ' HA ' ' A' ' 75' ' ' PRO . 19.0 mmt-85 -80.1 159.53 26.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.659 ' CD2' ' HB2' ' A' ' 75' ' ' PRO . 5.8 m-30 45.75 57.79 4.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.986 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 44.5 m -79.71 -63.87 1.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.467 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -90.52 102.94 15.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.937 HD12 ' HB3' ' A' ' 4' ' ' ASN . 6.4 tt -71.79 -5.0 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -89.01 -37.49 15.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.137 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 89' ' ' GLU . 13.7 mttt -86.33 -57.19 3.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.447 HG21 ' CD1' ' A' ' 82' ' ' PHE . 0.4 OUTLIER -39.88 -30.01 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 87' ' ' LYS . 30.5 mt-10 -72.06 -54.73 8.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.57 1.168 . . . . 0.0 110.325 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -65.23 -49.87 68.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -48.16 -44.16 32.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.343 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.544 ' CG ' ' HD2' ' A' ' 109' ' ' LYS . 0.1 OUTLIER -56.86 -27.11 59.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 111.017 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.431 HG23 ' CG ' ' A' ' 103' ' ' ASP . 1.1 m -88.22 -36.9 16.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.44 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.21 -25.58 59.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.464 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.4 t60 -70.25 -59.97 2.56 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.78 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.427 ' C ' ' O ' ' A' ' 102' ' ' ALA . 3.7 m -56.15 -21.62 23.82 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.564 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -84.7 -12.82 53.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.06 6.38 11.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.464 HG13 ' CE1' ' A' ' 95' ' ' HIS . 46.3 mm -122.22 -49.03 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.718 HD12 ' SG ' ' A' ' 104' ' ' CYS . 64.5 mt -99.53 -32.15 11.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.778 ' HA3' ' HG3' ' A' ' 42' ' ' PRO . . . 107.11 14.93 17.45 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.461 1.101 . . . . 0.0 110.956 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.427 ' O ' ' C ' ' A' ' 96' ' ' CYS . . . -167.39 -170.85 1.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 0.78 . . . . 0.0 109.285 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.431 ' CG ' HG23 ' A' ' 93' ' ' THR . 9.1 t0 -95.3 121.09 36.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.718 ' SG ' HD12 ' A' ' 100' ' ' LEU . 64.1 m -60.92 161.74 7.84 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.562 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' SER . . . . . 0.476 ' OG ' ' CG ' ' A' ' 108' ' ' GLU . 53.2 p -77.48 143.31 68.13 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.975 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -59.41 -15.23 28.84 Favored 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.323 3.349 . . . . 0.0 109.614 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 79.6 p -85.16 -43.83 13.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.986 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.476 ' CG ' ' OG ' ' A' ' 105' ' ' SER . 2.7 mm-40 -69.04 -8.78 48.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 110.349 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.544 ' HD2' ' CG ' ' A' ' 92' ' ' PHE . 2.5 tppt? -88.16 -65.69 0.99 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.528 ' HB2' ' CB ' ' A' ' 12' ' ' TYR . . . -49.91 -22.04 1.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.413 ' N ' ' C ' ' A' ' 109' ' ' LYS . 0.2 OUTLIER -76.77 -53.91 7.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -56.85 -44.95 82.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 111.025 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.598 HG22 HG22 ' A' ' 9' ' ' VAL . 1.5 mt -56.38 -42.03 73.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.428 ' HB2' ' HG2' ' A' ' 26' ' ' PRO . . . -57.93 -76.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.533 ' CD2' ' HA3' ' A' ' 31' ' ' GLY . 0.2 OUTLIER -36.87 -42.12 0.37 Allowed 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.869 -179.913 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.684 HD23 ' HG3' ' A' ' 75' ' ' PRO . 1.8 mp -61.12 -60.99 2.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.921 HD21 ' HB1' ' A' ' 5' ' ' ALA . 55.5 mt -51.15 -33.77 28.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 110.426 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.1 m . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.4 -0.222 . . . . 0.0 110.4 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.42 ' O ' ' N ' ' A' ' 7' ' ' LYS . 4.7 m-20 -90.8 -56.1 3.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.259 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.517 ' O ' HG23 ' A' ' 9' ' ' VAL . . . -46.27 -39.86 10.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.143 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -65.14 -37.91 88.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.281 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 4' ' ' ASN . 0.0 OUTLIER -60.91 -53.58 55.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.157 . . . . 0.0 109.35 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.534 HD13 ' HE2' ' A' ' 12' ' ' TYR . 5.8 mt -49.29 -51.48 33.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.569 HG21 HD21 ' A' ' 117' ' ' LEU . 87.3 t -54.71 -52.57 40.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 18.5 t80 -72.51 0.65 9.81 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.82 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -105.46 -74.45 0.65 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.82 ' CB ' ' HB2' ' A' ' 110' ' ' ALA . 94.8 m-85 -49.4 -24.64 2.04 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.847 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.459 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 52.3 m -74.66 -47.7 30.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.394 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 53.6 t-20 -58.3 -52.95 63.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.2 mt -52.42 -48.68 45.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.43 -41.5 89.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.487 ' ND1' ' O ' ' A' ' 23' ' ' TYR . 15.9 t60 -67.67 -31.58 71.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.609 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 46.5 t -66.39 -24.43 66.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.99 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.24 -36.27 13.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.288 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.433 ' O ' ' HA ' ' A' ' 17' ' ' HIS . 11.5 t-20 -135.27 118.78 12.98 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.26 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -81.64 40.56 1.0 Allowed 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 124.286 3.324 . . . . 0.0 109.618 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.7 mtt -145.28 37.57 1.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 110.983 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.487 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 55.7 t80 -147.42 120.32 8.73 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.821 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -100.16 -45.86 5.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 110.285 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.681 ' HB1' ' CD ' ' A' ' 26' ' ' PRO . . . -168.36 176.42 1.53 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.085 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.681 ' CD ' ' HB1' ' A' ' 25' ' ' ALA . 17.2 Cg_exo -70.46 179.85 3.76 Favored 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 124.315 3.343 . . . . 0.0 109.606 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -135.49 22.94 3.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.978 -179.881 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.428 ' C ' ' O ' ' A' ' 27' ' ' SER . 16.8 pt 37.43 45.17 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.713 ' O ' HG22 ' A' ' 29' ' ' THR . 3.4 m -162.11 33.52 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.403 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.486 ' HB3' ' ND2' ' A' ' 111' ' ' ASN . 7.2 t70 -133.3 -46.75 0.83 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.442 ' O ' ' CB ' ' A' ' 35' ' ' PHE . . . -50.57 -37.6 33.79 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.449 1.093 . . . . 0.0 110.964 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.566 ' HG2' ' CE1' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -51.48 -69.59 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 0.766 . . . . 0.0 109.315 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.409 HG23 ' HD2' ' A' ' 37' ' ' ARG . 29.7 mt -48.55 -57.89 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.558 ' CZ ' ' OE2' ' A' ' 108' ' ' GLU . 20.2 t80 -53.68 -20.57 5.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.96 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.556 ' CE2' ' HD3' ' A' ' 57' ' ' PRO . 85.7 t80 -108.33 5.37 25.46 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 32' ' ' LYS . 4.6 m120 -142.21 25.59 1.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 39' ' ' PHE . 2.9 tpm_? -107.54 96.7 6.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.334 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.7 ttpt -49.66 94.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.512 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 25.3 p90 -98.91 165.32 11.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.987 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -105.59 143.71 33.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.454 HG23 ' O ' ' A' ' 45' ' ' LYS . 43.3 p -97.88 153.95 38.0 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.359 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.866 ' HG3' ' HA3' ' A' ' 101' ' ' GLY . 72.2 Cg_endo -67.4 -4.54 12.05 Favored 'Trans proline' 0 N--CA 1.448 -1.2 0 C-N-CA 124.275 3.317 . . . . 0.0 109.629 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 p -107.28 31.03 5.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.021 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.403 ' O ' ' CB ' ' A' ' 45' ' ' LYS . . . 46.33 82.81 0.03 OUTLIER Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.5 1.125 . . . . 0.0 110.966 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.454 ' O ' HG23 ' A' ' 41' ' ' THR . 2.6 tttt 170.95 111.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 0.792 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.47 154.2 41.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -163.96 176.98 8.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.512 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -154.68 151.63 28.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.532 ' HB2' ' CD1' ' A' ' 35' ' ' PHE . 56.4 m -64.08 -14.75 56.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 108.328 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.451 ' HA ' ' O ' ' A' ' 54' ' ' THR . . . -100.6 5.2 43.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 84.3 p -74.08 -30.67 62.47 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.431 1.082 . . . . 0.0 110.026 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 57.7 m -116.99 -43.91 2.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 108.284 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.508 ' O ' ' OG1' ' A' ' 54' ' ' THR . 65.8 m-70 -85.7 15.03 5.03 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.754 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.508 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 39.4 p 49.98 174.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 110.353 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.435 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 5.1 p30 -56.16 -25.3 46.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -128.53 122.64 21.86 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.145 . . . . 0.0 109.345 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.888 ' HB3' HD23 ' A' ' 73' ' ' LEU . 55.4 Cg_endo -68.84 -43.78 3.31 Favored 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.322 3.348 . . . . 0.0 109.557 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.44 -18.37 2.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.404 ' N ' ' C ' ' A' ' 57' ' ' PRO . 9.6 t-20 -85.49 -178.83 6.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 25.5 t -85.32 115.76 27.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 70' ' ' ILE . . . -76.91 -164.39 20.27 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.449 1.093 . . . . 0.0 111.007 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.481 ' CG ' ' O ' ' A' ' 68' ' ' LYS . 0.1 OUTLIER -175.54 118.79 0.17 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 0.754 . . . . 0.0 109.331 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.557 ' ND2' HD11 ' A' ' 70' ' ' ILE . 90.3 m-20 -71.02 126.69 30.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 10.8 pt -79.13 1.77 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 94.6 t -79.64 -51.3 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.337 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 70.1 p -108.96 -29.55 8.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.379 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 87.04 44.02 5.8 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.479 1.112 . . . . 0.0 111.012 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.481 ' O ' ' CG ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -98.28 -159.95 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.765 . . . . 0.0 109.307 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.445 ' N ' ' CD ' ' A' ' 69' ' ' GLU . 1.3 pm0 -125.69 105.28 8.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.282 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.557 HD11 ' ND2' ' A' ' 63' ' ' ASN . 2.1 mm -86.72 115.48 62.52 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -47.63 166.08 0.11 Allowed 'Trans proline' 0 N--CA 1.446 -1.27 0 C-N-CA 124.314 3.343 . . . . 0.0 109.589 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_exo -38.86 131.7 1.2 Allowed 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.292 3.328 . . . . 0.0 109.589 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.888 HD23 ' HB3' ' A' ' 57' ' ' PRO . 3.0 tp -83.62 -33.12 25.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.344 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.471 ' HB3' ' HB ' ' A' ' 77' ' ' VAL . . . -39.52 99.81 0.2 Allowed Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.119 . . . . 0.0 109.346 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.626 ' HB3' ' CD1' ' A' ' 82' ' ' PHE . 26.6 Cg_exo -62.14 -11.28 21.24 Favored 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 124.343 3.362 . . . . 0.0 109.59 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.0 ttt180 -96.51 -47.76 5.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.471 ' HB ' ' HB3' ' A' ' 74' ' ' ALA . 9.2 t -48.19 -43.78 12.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.447 ' OD1' HG12 ' A' ' 77' ' ' VAL . 0.3 OUTLIER -97.45 138.47 34.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.148 . . . . 0.0 109.325 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 21.2 p -86.06 -0.15 54.87 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.12 . . . . 0.0 110.434 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.19 47.45 1.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.514 ' CB ' ' HA ' ' A' ' 75' ' ' PRO . 54.4 mmt-85 -136.69 -94.24 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.626 ' CD1' ' HB3' ' A' ' 75' ' ' PRO . 2.0 m-30 -67.3 67.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.429 ' N ' ' O ' ' A' ' 81' ' ' ARG . 90.0 m -98.15 -60.0 1.64 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.098 . . . . 0.0 110.404 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -87.5 122.96 31.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.261 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.741 HG23 ' O ' ' A' ' 85' ' ' ILE . 8.9 tt -102.34 58.13 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.093 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -150.18 -50.96 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -88.44 -1.89 58.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -83.76 -26.82 7.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -72.74 -50.25 25.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.291 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -64.26 -47.88 77.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.43 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 4.5 mm-40 -55.3 -20.36 11.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.285 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.41 ' CD1' ' HE2' ' A' ' 109' ' ' LYS . 0.1 OUTLIER -85.95 -29.89 23.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 110.994 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.513 HG23 ' CG ' ' A' ' 103' ' ' ASP . 0.9 OUTLIER -86.01 -40.16 16.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.378 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.2 mmtp -64.77 -32.06 73.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.493 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.4 t60 -65.62 -59.73 3.65 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.749 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.434 ' C ' ' O ' ' A' ' 102' ' ' ALA . 2.6 m -54.52 -25.04 23.24 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.543 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.469 ' HA ' ' N ' ' A' ' 102' ' ' ALA . 1.7 m-80 -78.18 -15.65 58.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.3 -1.21 15.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.493 HG13 ' CE1' ' A' ' 95' ' ' HIS . 26.7 mm -113.77 -57.03 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.261 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.602 HD12 ' SG ' ' A' ' 104' ' ' CYS . 43.3 mt -91.85 -21.27 20.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.0 109.261 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.866 ' HA3' ' HG3' ' A' ' 42' ' ' PRO . . . 95.87 11.65 54.51 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.53 1.144 . . . . 0.0 111.026 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.469 ' N ' ' HA ' ' A' ' 97' ' ' ASN . . . -162.38 -168.5 1.87 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.513 ' CG ' HG23 ' A' ' 93' ' ' THR . 14.1 t0 -94.87 125.54 39.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.602 ' SG ' HD12 ' A' ' 100' ' ' LEU . 45.7 m -65.02 163.13 15.32 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.613 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' SER . . . . . 0.423 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 16.1 t -77.93 150.05 77.72 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 109.981 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 105' ' ' SER . 16.1 Cg_exo -66.75 -12.83 37.51 Favored 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.358 3.372 . . . . 0.0 109.599 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 76.7 p -89.63 -43.14 10.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.979 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.558 ' OE2' ' CZ ' ' A' ' 34' ' ' PHE . 10.2 pt-20 -69.83 -5.68 27.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.589 1.181 . . . . 0.0 110.285 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.429 ' C ' ' N ' ' A' ' 111' ' ' ASN . 8.4 mmtp -96.5 -66.81 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.82 ' HB2' ' CB ' ' A' ' 12' ' ' TYR . . . -43.97 -27.19 0.34 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 0.0 109.328 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.486 ' ND2' ' HB3' ' A' ' 30' ' ' ASP . 6.8 t-20 -73.77 -54.8 7.23 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.444 ' CE2' HD22 ' A' ' 116' ' ' LEU . 39.3 t80 -54.51 -45.85 73.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.105 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.434 ' O ' HD23 ' A' ' 117' ' ' LEU . 1.6 mt -53.58 -39.88 39.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 117' ' ' LEU . . . -64.14 -64.99 0.74 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.566 ' CE1' ' HG2' ' A' ' 32' ' ' LYS . 1.3 t80 -45.81 -37.41 6.07 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.975 -1.011 . . . . 0.0 109.822 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.444 HD22 ' CE2' ' A' ' 112' ' ' PHE . 0.9 OUTLIER -68.98 -37.05 78.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.897 HD12 ' O ' ' A' ' 117' ' ' LEU . 1.1 pp -93.12 24.14 3.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.3 m . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.392 179.987 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.454 HG22 ' O ' ' A' ' 3' ' ' THR . 53.6 m . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.814 ' HB3' HD12 ' A' ' 85' ' ' ILE . 1.5 m-80 -118.72 -65.83 1.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.25 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.787 ' O ' HG23 ' A' ' 9' ' ' VAL . . . -39.33 -43.47 1.17 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.573 1.171 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -53.81 -48.67 69.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 4' ' ' ASN . 0.0 OUTLIER -59.12 -52.57 65.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.693 ' HG ' HD11 ' A' ' 85' ' ' ILE . 12.5 mt -49.5 -45.16 46.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.865 HG21 HD21 ' A' ' 117' ' ' LEU . 49.0 t -62.93 -53.01 52.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.34 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -66.17 -10.34 40.37 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.833 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 7' ' ' LYS . 0.5 OUTLIER -94.61 -73.71 0.57 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.812 ' CB ' ' HB2' ' A' ' 110' ' ' ALA . 55.8 m-85 -48.02 -24.61 1.12 Allowed 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.831 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.442 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 40.8 m -76.08 -49.36 17.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 110.435 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -61.16 -54.46 44.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.6 mt -46.75 -48.19 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.05 -54.6 44.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.418 ' HA ' ' O ' ' A' ' 20' ' ' ASN . 78.2 t60 -57.54 -30.43 65.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.586 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.2 t -70.94 -18.98 62.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.948 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -96.54 -39.95 9.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.357 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.418 ' O ' ' HA ' ' A' ' 17' ' ' HIS . 0.4 OUTLIER -140.95 125.19 10.47 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.27 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -68.89 -4.06 12.66 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.284 3.323 . . . . 0.0 109.569 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 3.5 mmt -79.21 -43.79 23.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.469 ' CE1' ' HB2' ' A' ' 107' ' ' SER . 23.4 t80 -79.2 126.55 30.9 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.85 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -123.5 -44.58 2.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.489 ' HB1' ' HD2' ' A' ' 26' ' ' PRO . . . -161.84 156.54 19.53 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.489 ' HD2' ' HB1' ' A' ' 25' ' ' ALA . 31.0 Cg_endo -64.55 178.03 1.9 Allowed 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.284 3.322 . . . . 0.0 109.592 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.5 16.82 1.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.044 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.402 ' O ' ' OG1' ' A' ' 29' ' ' THR . 36.1 pt 42.52 54.1 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.733 ' O ' HG22 ' A' ' 29' ' ' THR . 3.2 m -163.08 38.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 110.389 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.467 ' HB3' ' ND2' ' A' ' 111' ' ' ASN . 32.3 t70 -144.61 -47.22 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' A' ' 35' ' ' PHE . . . -48.96 -54.68 13.52 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.45 1.094 . . . . 0.0 111.03 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.564 ' HB3' ' CE2' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -45.04 -73.1 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 0.76 . . . . 0.0 109.304 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.3 mt -46.99 -53.13 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -57.0 -17.67 10.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.99 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.472 ' N ' ' O ' ' A' ' 31' ' ' GLY . 81.3 t80 -106.93 11.12 30.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 0.0 110.984 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -143.0 23.42 1.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -104.2 108.94 20.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.331 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.1 ttmm -63.83 96.7 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.486 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 25.2 p90 -100.01 163.69 12.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.1 tttp -105.41 140.62 38.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.459 HG23 ' O ' ' A' ' 45' ' ' LYS . 39.0 p -93.87 153.13 41.01 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.132 . . . . 0.0 110.384 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.751 ' HG3' ' HA3' ' A' ' 101' ' ' GLY . 88.1 Cg_endo -68.39 -2.78 9.71 Favored 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.377 3.385 . . . . 0.0 109.609 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 p -106.59 22.41 15.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.985 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 54.63 81.68 0.06 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.512 1.133 . . . . 0.0 111.006 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.459 ' O ' HG23 ' A' ' 41' ' ' THR . 3.7 tttt 171.43 108.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 0.782 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.56 153.32 39.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -163.98 177.47 8.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.486 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -155.53 152.79 29.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.442 ' CB ' ' CD1' ' A' ' 35' ' ' PHE . 62.3 m -65.18 -13.15 57.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 108.295 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.436 ' O ' ' HA ' ' A' ' 54' ' ' THR . . . -102.19 6.11 40.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 88.2 p -77.2 -28.8 54.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 110.019 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 86.1 m -117.71 -44.8 2.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 108.284 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.516 ' O ' ' OG1' ' A' ' 54' ' ' THR . 86.6 m-70 -86.69 14.59 6.78 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.785 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.516 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 40.6 p 50.18 172.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.369 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.431 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 11.2 p30 -53.67 -24.37 14.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -132.49 129.38 21.43 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.433 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 86.0 Cg_endo -73.42 -43.09 0.73 Allowed 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.295 3.33 . . . . 0.0 109.591 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.616 ' HA ' ' HB2' ' A' ' 74' ' ' ALA . . . -54.85 -18.14 4.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 109.351 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -89.85 172.83 8.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 40.8 t -70.49 135.74 27.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.132 . . . . 0.0 109.246 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -110.4 -174.8 20.56 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.46 1.1 . . . . 0.0 110.999 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.5 tttt -166.31 135.0 2.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.769 . . . . 0.0 109.292 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.534 ' ND2' HG13 ' A' ' 70' ' ' ILE . 10.5 m120 -94.12 134.44 36.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.5 pt -84.75 13.1 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.328 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 78.5 t -88.85 -60.03 2.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.2 p -113.43 -28.03 7.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 110.391 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 83.51 53.03 3.53 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.501 1.125 . . . . 0.0 110.999 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.516 ' O ' ' C ' ' A' ' 69' ' ' GLU . 7.6 ttmt -111.28 98.77 7.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.516 ' C ' ' O ' ' A' ' 68' ' ' LYS . 1.2 pm0 -28.87 100.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.431 1.082 . . . . 0.0 110.356 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.534 HG13 ' ND2' ' A' ' 63' ' ' ASN . 3.7 mm -77.54 134.13 66.32 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.271 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.517 ' HD2' HG23 ' A' ' 70' ' ' ILE . 60.0 Cg_endo -71.61 150.75 57.52 Favored 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.332 3.354 . . . . 0.0 109.553 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.41 ' C ' ' O ' ' A' ' 71' ' ' PRO . 72.4 Cg_exo -32.75 137.75 0.06 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.339 3.359 . . . . 0.0 109.565 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 1.026 ' O ' HD12 ' A' ' 73' ' ' LEU . 0.2 OUTLIER -93.22 -28.27 16.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.616 ' HB2' ' HA ' ' A' ' 58' ' ' ALA . . . -34.66 96.9 0.11 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.62 ' CG ' HD13 ' A' ' 116' ' ' LEU . 16.6 Cg_exo -67.22 53.4 0.46 Allowed 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.342 3.361 . . . . 0.0 109.607 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.408 ' N ' ' O ' ' A' ' 74' ' ' ALA . 9.7 ttm180 -168.7 -51.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 110.29 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.596 HG12 ' OD1' ' A' ' 78' ' ' ASN . 38.4 t -46.32 -41.02 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.596 ' OD1' HG12 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -111.39 142.07 44.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -78.97 -6.5 56.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 110.367 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.44 ' O ' ' NH1' ' A' ' 81' ' ' ARG . 0.4 OUTLIER -97.72 45.5 1.03 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.452 ' NH2' ' HG2' ' A' ' 71' ' ' PRO . 17.9 mmt-85 -141.89 162.6 35.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 110.309 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.586 ' CG ' ' HB3' ' A' ' 75' ' ' PRO . 3.1 m-30 39.62 67.84 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.95 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 10.7 m -89.8 -67.52 0.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.361 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -81.75 92.39 6.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.252 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.814 HD12 ' HB3' ' A' ' 4' ' ' ASN . 8.8 tt -72.14 -4.71 5.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.348 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -97.55 -21.03 17.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 90' ' ' ASP . 5.2 ttmt -102.05 -50.57 3.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.362 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -43.92 -26.91 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.421 ' N ' ' C ' ' A' ' 87' ' ' LYS . 2.2 tm-20 -70.46 -46.73 63.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 0.0 110.311 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 87' ' ' LYS . 23.0 m-20 -70.88 -46.44 62.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -54.79 -18.72 5.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.115 . . . . 0.0 110.291 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.608 ' CD1' ' HD2' ' A' ' 109' ' ' LYS . 0.2 OUTLIER -81.15 -24.52 37.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.998 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -89.35 -29.95 18.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.4 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.6 -33.78 53.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.342 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.586 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.4 t60 -66.0 -59.25 4.0 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 114.99 -1.004 . . . . 0.0 109.759 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.419 ' C ' ' O ' ' A' ' 102' ' ' ALA . 11.9 m -56.35 -23.66 38.93 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.568 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.45 ' HA ' ' N ' ' A' ' 102' ' ' ALA . 1.7 m-80 -82.24 -12.29 58.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -117.9 5.92 12.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.586 HG13 ' CE1' ' A' ' 95' ' ' HIS . 25.0 mm -122.57 -51.42 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.761 HD12 ' SG ' ' A' ' 104' ' ' CYS . 74.6 mt -97.19 -29.21 13.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.751 ' HA3' ' HG3' ' A' ' 42' ' ' PRO . . . 106.86 9.79 29.66 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.483 1.115 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.45 ' N ' ' HA ' ' A' ' 97' ' ' ASN . . . -168.21 -173.89 2.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 0.778 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -85.46 125.34 32.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.761 ' SG ' HD12 ' A' ' 100' ' ' LEU . 57.3 m -61.04 161.31 8.62 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.599 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' SER . . . . . 0.472 ' HB2' ' CG ' ' A' ' 108' ' ' GLU . 4.5 m -68.79 144.5 96.02 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.035 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -63.61 -21.46 70.32 Favored 'Trans proline' 0 N--CA 1.446 -1.283 0 C-N-CA 124.334 3.356 . . . . 0.0 109.599 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.469 ' HB2' ' CE1' ' A' ' 23' ' ' TYR . 72.0 p -85.79 -36.74 19.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.986 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.472 ' CG ' ' HB2' ' A' ' 105' ' ' SER . 4.5 mm-40 -70.5 -9.95 57.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.312 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.608 ' HD2' ' CD1' ' A' ' 92' ' ' PHE . 2.4 tppt? -90.66 -65.38 1.02 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.261 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.812 ' HB2' ' CB ' ' A' ' 12' ' ' TYR . . . -49.55 -22.05 1.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.269 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.467 ' ND2' ' HB3' ' A' ' 30' ' ' ASP . 6.0 t-20 -80.0 -51.3 9.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.419 ' CZ ' HD11 ' A' ' 116' ' ' LEU . 40.7 t80 -58.07 -46.12 85.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 110.972 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.687 HG22 HG22 ' A' ' 9' ' ' VAL . 1.4 mt -57.52 -38.22 62.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.82 -62.79 1.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.564 ' CE2' ' HB3' ' A' ' 32' ' ' LYS . 1.1 t80 -50.37 -31.59 15.15 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.852 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.62 HD13 ' CG ' ' A' ' 75' ' ' PRO . 10.5 mt -71.8 -40.02 69.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.865 HD21 HG21 ' A' ' 9' ' ' VAL . 1.7 pp -91.17 20.75 4.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 27.4 m . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.396 -179.974 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.73 ' C ' HG23 ' A' ' 2' ' ' VAL . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.73 HG23 ' C ' ' A' ' 1' ' ' ASP . 3.0 t 87.08 -41.47 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 2' ' ' VAL . 19.2 m -37.72 -44.96 0.76 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.368 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.479 ' HB3' ' CG1' ' A' ' 85' ' ' ILE . 0.4 OUTLIER -77.82 -48.36 16.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.255 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.425 ' HB3' ' HA ' ' A' ' 2' ' ' VAL . . . -49.67 -48.78 49.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -64.53 -34.21 77.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -63.93 -49.68 71.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.8 mt -51.86 -51.94 53.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.722 HG21 HD21 ' A' ' 117' ' ' LEU . 95.7 t -53.49 -51.56 40.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -71.54 -6.98 44.68 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.838 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 7' ' ' LYS . 4.8 tppt? -96.28 -71.76 0.66 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.638 ' HB2' ' HB2' ' A' ' 110' ' ' ALA . 85.5 m-85 -50.67 -23.55 2.71 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.801 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.497 ' CG2' ' O ' ' A' ' 24' ' ' GLU . 18.7 m -74.36 -42.42 59.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.396 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -65.3 -52.53 53.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.343 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.7 mt -51.38 -51.32 24.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.99 -56.2 22.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.232 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -54.23 -33.21 57.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.622 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 39.5 t -70.81 -16.49 62.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.006 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -105.34 -37.59 6.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -136.49 94.1 13.84 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_exo -46.93 -22.76 2.16 Favored 'Trans proline' 0 N--CA 1.446 -1.265 0 C-N-CA 124.336 3.358 . . . . 0.0 109.593 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -65.51 -44.28 87.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -75.32 119.02 18.86 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.023 -0.99 . . . . 0.0 109.805 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.497 ' O ' ' CG2' ' A' ' 13' ' ' THR . 1.7 mt-10 -118.84 -44.53 2.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.553 ' HB1' ' HD2' ' A' ' 26' ' ' PRO . . . -132.8 164.94 40.2 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.553 ' HD2' ' HB1' ' A' ' 25' ' ' ALA . 65.5 Cg_endo -91.33 -169.15 0.28 Allowed 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.329 3.353 . . . . 0.0 109.626 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 40.5 t -151.07 172.98 14.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.973 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.513 ' O ' ' CE2' ' A' ' 115' ' ' TYR . 7.7 pt -121.66 29.99 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.262 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.46 ' O ' HG22 ' A' ' 29' ' ' THR . 20.8 m -132.64 6.38 4.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.411 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.447 ' CB ' ' OD1' ' A' ' 111' ' ' ASN . 1.0 OUTLIER -112.59 -25.59 9.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.794 ' N ' HD21 ' A' ' 111' ' ' ASN . . . -79.68 54.66 4.41 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.436 1.085 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.21 -66.55 0.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 0.729 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.455 ' CG2' ' HD3' ' A' ' 37' ' ' ARG . 33.7 mt -59.99 -50.57 79.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -53.97 -21.64 8.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.538 ' CD1' ' HB2' ' A' ' 49' ' ' CYS . 86.4 t80 -109.08 6.04 24.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.467 1.104 . . . . 0.0 110.99 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.404 ' OD1' ' O ' ' A' ' 35' ' ' PHE . 76.4 m-20 -140.21 22.62 2.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.455 ' HD3' ' CG2' ' A' ' 33' ' ' ILE . 1.5 ttp85 -105.15 104.11 13.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.286 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -56.42 96.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.528 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 25.9 p90 -100.02 164.45 11.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.87 147.48 28.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.401 ' HB ' ' HD2' ' A' ' 42' ' ' PRO . 33.5 p -103.19 153.99 37.99 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.381 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.791 ' HG3' ' HA3' ' A' ' 101' ' ' GLY . 68.9 Cg_endo -65.51 -6.1 12.92 Favored 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 124.328 3.352 . . . . 0.0 109.594 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 p -104.26 34.82 2.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.998 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 43.0 80.96 0.04 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.54 1.15 . . . . 0.0 110.98 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.4 ' O ' HG23 ' A' ' 41' ' ' THR . 1.7 tttp 172.49 124.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.467 0.746 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.34 154.11 27.97 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.143 . . . . 0.0 110.263 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -163.5 176.76 9.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.528 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -155.38 152.56 29.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.538 ' HB2' ' CD1' ' A' ' 35' ' ' PHE . 57.8 m -65.29 -12.62 53.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 108.294 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.442 ' HB1' ' HA ' ' A' ' 55' ' ' ASN . . . -102.49 6.13 39.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.342 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.493 ' OG ' ' CMC' ' A' ' 125' ' ' HEC . 94.8 p -76.33 -29.69 57.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.944 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 71.4 m -118.1 -45.44 2.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 108.25 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.518 ' O ' ' OG1' ' A' ' 54' ' ' THR . 77.4 m-70 -84.69 14.57 4.55 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.063 -0.971 . . . . 0.0 109.721 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.518 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 49.4 p 50.27 172.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.417 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.442 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 8.6 p30 -53.31 -24.87 12.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -131.05 125.13 20.99 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.242 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.526 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 60.9 Cg_endo -70.48 -41.2 3.53 Favored 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.302 3.335 . . . . 0.0 109.587 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.43 -16.97 6.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -88.69 176.37 7.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.557 HG22 ' HD3' ' A' ' 72' ' ' PRO . 53.7 t -79.54 120.67 31.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.508 ' HA2' HG23 ' A' ' 54' ' ' THR . . . -84.08 -168.52 44.03 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.485 1.115 . . . . 0.0 110.977 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.14 120.69 0.98 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 0.779 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.931 ' ND2' HD11 ' A' ' 70' ' ' ILE . 84.5 m-20 -76.83 129.75 36.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.107 . . . . 0.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 6.4 pt -85.69 9.05 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.344 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 53.6 t -91.28 -55.46 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 68.2 p -107.42 -33.29 7.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 110.384 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 77.82 36.84 31.45 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.433 1.083 . . . . 0.0 110.984 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -81.97 -94.44 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 0.756 . . . . 0.0 109.26 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -177.99 123.13 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.355 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.931 HD11 ' ND2' ' A' ' 63' ' ' ASN . 1.8 mm -112.81 97.88 42.99 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.422 ' HB3' ' HD2' ' A' ' 72' ' ' PRO . 86.9 Cg_exo -48.94 167.83 0.12 Allowed 'Trans proline' 0 N--CA 1.448 -1.193 0 C-N-CA 124.315 3.343 . . . . 0.0 109.578 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.557 ' HD3' HG22 ' A' ' 60' ' ' VAL . 68.7 Cg_exo -37.76 131.46 0.77 Allowed 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.282 3.322 . . . . 0.0 109.633 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 75' ' ' PRO . 4.1 tp -87.84 -31.01 19.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.648 ' HB3' ' HB ' ' A' ' 77' ' ' VAL . . . -37.89 98.42 0.16 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.601 ' HB3' ' CD1' ' A' ' 82' ' ' PHE . 26.2 Cg_exo -62.85 -18.25 63.72 Favored 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 124.316 3.344 . . . . 0.0 109.61 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -94.01 -40.57 10.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.648 ' HB ' ' HB3' ' A' ' 74' ' ' ALA . 41.2 t -59.96 -39.99 81.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.447 ' N ' ' OD1' ' A' ' 78' ' ' ASN . 0.4 OUTLIER -93.92 134.65 36.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 19.3 p -82.25 -7.13 59.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.378 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.82 43.72 1.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.352 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.499 ' CB ' ' HA ' ' A' ' 75' ' ' PRO . 50.6 mmt-85 -145.25 172.27 13.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.601 ' CD1' ' HB3' ' A' ' 75' ' ' PRO . 1.6 m-30 36.44 64.76 0.51 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 110.987 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 24.5 m -101.51 -64.26 1.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.39 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -79.38 149.06 31.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 109.329 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.479 ' CG1' ' HB3' ' A' ' 4' ' ' ASN . 2.8 mp -107.84 -45.95 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -45.62 -67.77 0.25 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.441 1.088 . . . . 0.0 109.324 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.448 ' C ' ' N ' ' A' ' 89' ' ' GLU . 0.2 OUTLIER -52.84 -63.88 1.0 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.257 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 87' ' ' LYS . 1.2 t -40.15 -30.13 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.448 ' N ' ' C ' ' A' ' 87' ' ' LYS . 5.4 tt0 -80.01 53.65 1.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.339 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 30.1 t0 178.39 -50.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 4.2 mm-40 -54.34 -20.63 7.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.307 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.667 ' CZ ' HMA2 ' A' ' 125' ' ' HEC . 0.1 OUTLIER -81.85 -30.91 31.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 111.008 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.1 m -84.55 -36.37 22.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.43 1.081 . . . . 0.0 110.404 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.3 mmpt? -68.16 -31.98 71.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.578 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.3 t60 -64.9 -58.68 5.51 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.766 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.414 ' C ' ' O ' ' A' ' 102' ' ' ALA . 4.5 m -55.91 -22.79 27.78 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.603 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.434 ' HA ' ' N ' ' A' ' 102' ' ' ALA . 1.9 m-80 -83.16 -13.19 56.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.67 6.35 13.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.578 HG13 ' CE1' ' A' ' 95' ' ' HIS . 19.8 mm -121.71 -51.63 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.689 HD12 ' SG ' ' A' ' 104' ' ' CYS . 78.3 mt -97.62 -29.04 13.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.791 ' HA3' ' HG3' ' A' ' 42' ' ' PRO . . . 105.96 12.02 26.83 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.555 1.159 . . . . 0.0 110.985 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.434 ' N ' ' HA ' ' A' ' 97' ' ' ASN . . . -168.17 -173.17 1.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 0.749 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -87.64 125.94 34.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.689 ' SG ' HD12 ' A' ' 100' ' ' LEU . 58.3 m -63.14 160.24 15.8 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.605 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.478 ' HB2' ' CG ' ' A' ' 108' ' ' GLU . 1.9 m -67.85 149.19 98.34 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.992 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -65.97 -23.49 54.16 Favored 'Trans proline' 0 N--CA 1.446 -1.269 0 C-N-CA 124.334 3.356 . . . . 0.0 109.63 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.83 -8.53 51.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.993 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.478 ' CG ' ' HB2' ' A' ' 105' ' ' SER . 3.9 mm-40 -94.65 -13.89 25.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.293 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.578 ' HD2' ' CD1' ' A' ' 92' ' ' PHE . 2.6 tppt? -86.59 -59.3 2.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.638 ' HB2' ' HB2' ' A' ' 12' ' ' TYR . . . -52.18 -24.71 7.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.794 HD21 ' N ' ' A' ' 31' ' ' GLY . 0.8 OUTLIER -71.62 -54.87 9.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.684 ' CE2' HD11 ' A' ' 116' ' ' LEU . 45.9 t80 -59.51 -45.57 91.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 111.042 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.701 ' O ' HD23 ' A' ' 117' ' ' LEU . 1.7 mt -55.59 -35.96 40.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -65.02 -66.78 0.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.513 ' CE2' ' O ' ' A' ' 28' ' ' ILE . 0.2 OUTLIER -50.56 -34.4 25.52 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.814 -179.93 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.684 HD11 ' CE2' ' A' ' 112' ' ' PHE . 7.6 mt -70.54 -36.92 73.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.874 HD12 ' O ' ' A' ' 117' ' ' LEU . 1.7 pp -96.8 28.39 3.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 6.9 m -127.49 -67.61 0.82 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.379 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -73.87 124.31 25.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.336 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.436 ' HB ' HG22 ' A' ' 77' ' ' VAL . 28.4 p -139.05 41.78 2.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.386 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -133.21 100.72 13.93 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.535 1.147 . . . . 0.0 109.258 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -78.69 167.3 22.67 Favored 'Trans proline' 0 N--CA 1.447 -1.251 0 C-N-CA 124.273 3.316 . . . . 0.0 109.575 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 26.5 m -74.74 -68.41 0.54 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.38 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 62.7 mttt . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.352 -179.979 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 125' ' ' HEC . . . . . 0.667 HMA2 ' CZ ' ' A' ' 92' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.718 HG13 ' O ' ' A' ' 2' ' ' VAL . 3.3 p -145.91 49.1 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 48.6 m -61.81 -12.7 18.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.436 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -78.45 -47.76 16.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.594 ' HB1' HD22 ' A' ' 117' ' ' LEU . . . -44.19 -46.87 9.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -60.54 -47.56 85.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -59.08 -46.68 87.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.261 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.616 HD11 HG21 ' A' ' 88' ' ' VAL . 8.6 mt -53.27 -52.18 59.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.78 HG21 HD21 ' A' ' 117' ' ' LEU . 75.4 t -56.11 -49.36 76.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.092 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -74.32 -3.01 27.66 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.778 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 7' ' ' LYS . 3.4 mmmt -100.2 -72.79 0.66 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.756 ' HB2' ' HB2' ' A' ' 110' ' ' ALA . 87.3 m-85 -50.23 -22.84 1.91 Allowed 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.834 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.425 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 19.6 m -74.95 -42.59 57.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.431 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -64.44 -51.1 64.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.1 mt -52.9 -46.32 52.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.53 -50.79 72.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -58.14 -31.88 67.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.09 . . . . 0.0 109.604 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.2 t -72.02 -17.37 62.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 0.0 109.976 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -104.37 -35.92 7.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -137.42 93.4 12.79 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo -47.89 -22.11 3.1 Favored 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.305 3.336 . . . . 0.0 109.573 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -66.87 -43.05 84.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 111.045 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -75.45 117.27 17.06 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 114.944 -1.026 . . . . 0.0 109.808 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -117.09 -43.6 2.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.11 . . . . 0.0 110.273 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.554 ' HB1' ' HD2' ' A' ' 26' ' ' PRO . . . -132.06 168.03 19.53 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.346 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.554 ' HD2' ' HB1' ' A' ' 25' ' ' ALA . 89.1 Cg_endo -93.26 175.31 1.6 Allowed 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 124.318 3.345 . . . . 0.0 109.574 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.28 135.58 37.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.996 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.784 HG22 ' O ' ' A' ' 28' ' ' ILE . 3.7 mt -92.6 38.16 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.552 ' O ' HG22 ' A' ' 29' ' ' THR . 49.5 m -148.47 34.68 0.79 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 110.36 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -137.23 -49.94 0.62 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.467 ' O ' ' CB ' ' A' ' 35' ' ' PHE . . . -39.08 -37.54 0.67 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.517 1.136 . . . . 0.0 111.063 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.516 ' HG2' ' CZ ' ' A' ' 115' ' ' TYR . 0.4 OUTLIER -51.98 -72.16 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 0.723 . . . . 0.0 109.26 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 15.7 mt -46.84 -57.01 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -54.88 -17.77 4.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.132 . . . . 0.0 111.008 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.559 ' CD1' ' HB2' ' A' ' 49' ' ' CYS . 87.5 t80 -111.62 3.88 18.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 32' ' ' LYS . 67.4 m-20 -139.97 24.06 2.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.344 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -104.28 98.46 8.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.132 . . . . 0.0 110.271 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -51.66 94.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.574 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 25.9 p90 -100.15 162.88 12.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 110.97 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.9 mttt -107.11 145.64 32.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.095 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.457 HG23 ' O ' ' A' ' 45' ' ' LYS . 28.7 p -100.14 153.25 37.86 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.423 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.75 ' HG3' ' HA3' ' A' ' 101' ' ' GLY . 60.9 Cg_endo -64.6 -8.21 16.71 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.276 3.317 . . . . 0.0 109.623 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.6 p -101.94 33.68 2.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.029 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 42.07 77.41 0.08 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.509 1.131 . . . . 0.0 111.042 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.457 ' O ' HG23 ' A' ' 41' ' ' THR . 0.1 OUTLIER 178.68 112.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 0.779 . . . . 0.0 109.255 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -69.22 152.74 44.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 110.312 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -163.8 177.52 8.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.574 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -158.07 156.49 31.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.559 ' HB2' ' CD1' ' A' ' 35' ' ' PHE . 34.8 m -70.76 -8.26 51.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 108.297 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.438 ' HA ' ' O ' ' A' ' 54' ' ' THR . . . -106.53 4.05 27.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.404 ' HB2' ' O ' ' A' ' 48' ' ' ALA . 0.3 OUTLIER -83.54 -18.43 38.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.117 . . . . 0.0 110.021 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 53.9 m -124.22 -45.2 1.98 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 108.302 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.509 ' O ' ' OG1' ' A' ' 54' ' ' THR . 73.8 m-70 -92.36 17.37 9.94 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.741 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.541 HG23 ' HA2' ' A' ' 61' ' ' GLY . 71.7 p 50.26 170.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 110.411 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.408 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 13.6 p30 -54.35 -20.09 6.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -133.13 124.27 18.34 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.466 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 66.6 Cg_endo -71.12 -47.17 0.57 Allowed 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 124.327 3.352 . . . . 0.0 109.61 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.28 -19.08 2.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.358 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.401 ' N ' ' C ' ' A' ' 57' ' ' PRO . 12.5 t-20 -86.55 173.69 9.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 78.6 t -74.69 122.14 27.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.541 ' HA2' HG23 ' A' ' 54' ' ' THR . . . -92.75 -177.58 41.06 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.528 1.142 . . . . 0.0 111.041 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 59.8 tttt -159.85 133.34 7.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 0.754 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.903 ' ND2' HD11 ' A' ' 70' ' ' ILE . 92.0 m-20 -83.98 130.88 34.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.347 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 7.1 pt -85.16 7.2 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 57.8 t -88.81 -54.81 7.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 70.0 p -107.4 -34.4 7.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.398 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 81.51 33.25 28.59 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.555 1.159 . . . . 0.0 111.035 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.6 mmtp -79.08 -94.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 0.775 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -179.47 123.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.903 HD11 ' ND2' ' A' ' 63' ' ' ASN . 2.6 mm -112.34 99.28 46.25 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.348 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.407 ' HB3' ' HD2' ' A' ' 72' ' ' PRO . 85.7 Cg_exo -49.0 167.08 0.14 Allowed 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.304 3.336 . . . . 0.0 109.601 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.407 ' HD2' ' HB3' ' A' ' 71' ' ' PRO . 64.9 Cg_exo -37.18 132.05 0.52 Allowed 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.287 3.325 . . . . 0.0 109.615 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 74' ' ' ALA . 6.3 tp -86.91 -28.83 22.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.511 ' HB3' ' HB ' ' A' ' 77' ' ' VAL . . . -39.28 113.41 0.82 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.491 ' HA ' ' CB ' ' A' ' 81' ' ' ARG . 54.3 Cg_endo -72.8 -4.11 14.78 Favored 'Trans proline' 0 N--CA 1.448 -1.168 0 C-N-CA 124.281 3.321 . . . . 0.0 109.567 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.4 ttt180 -106.34 -51.77 2.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.311 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.747 HG23 ' HB ' ' A' ' 120' ' ' THR . 7.6 t -45.72 -42.82 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.443 ' N ' ' OD1' ' A' ' 78' ' ' ASN . 0.4 OUTLIER -95.63 141.44 29.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.536 1.148 . . . . 0.0 109.272 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.7 p -89.23 1.25 55.97 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 110.41 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.18 46.11 1.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.491 ' CB ' ' HA ' ' A' ' 75' ' ' PRO . 60.3 mmt-85 -143.26 168.74 19.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.28 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.475 ' CG ' ' HB2' ' A' ' 75' ' ' PRO . 2.7 m-30 36.6 62.78 0.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.949 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.705 HG22 ' O ' ' A' ' 83' ' ' THR . 3.4 m -124.94 44.63 2.74 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 110.392 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.435 ' C ' ' N ' ' A' ' 86' ' ' ASP . 44.8 t0 -174.86 79.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 6.1 mt -41.12 -28.96 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.34 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.435 ' N ' ' C ' ' A' ' 84' ' ' ASP . 15.2 m-20 -66.53 -68.63 0.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 88' ' ' VAL . 3.1 ttmm -41.08 -47.09 3.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.616 HG21 HD11 ' A' ' 8' ' ' LEU . 2.1 t -38.06 -58.27 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.46 80.53 6.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 110.278 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.0 t70 176.69 -66.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 0.0 109.303 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.484 ' HG3' ' N ' ' A' ' 92' ' ' PHE . 9.4 pt-20 -64.86 -38.46 91.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.672 ' CZ ' ' CMA' ' A' ' 125' ' ' HEC . 0.1 OUTLIER -59.57 -26.66 65.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 111.01 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.496 HG23 ' CG ' ' A' ' 103' ' ' ASP . 1.3 m -87.79 -41.31 13.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.385 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.68 -29.83 69.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.529 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.4 t60 -66.68 -58.83 4.33 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.791 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.419 ' C ' ' O ' ' A' ' 102' ' ' ALA . 12.5 m -57.27 -24.1 52.61 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.579 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.418 ' HA ' ' N ' ' A' ' 102' ' ' ALA . 2.0 m-80 -82.74 -12.4 57.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.264 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.67 8.28 11.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.529 HG13 ' CE1' ' A' ' 95' ' ' HIS . 20.0 mm -124.49 -43.13 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.469 HD12 ' SG ' ' A' ' 104' ' ' CYS . 56.5 mt -106.82 -31.57 8.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.75 ' HA3' ' HG3' ' A' ' 42' ' ' PRO . . . 108.43 11.71 22.97 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.523 1.139 . . . . 0.0 111.039 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 96' ' ' CYS . . . -166.35 -173.89 2.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 0.785 . . . . 0.0 109.341 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.496 ' CG ' HG23 ' A' ' 93' ' ' THR . 14.0 t0 -89.67 126.03 35.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.469 ' SG ' HD12 ' A' ' 100' ' ' LEU . 56.2 m -62.12 160.9 11.87 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.613 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 23.3 t -74.77 142.99 77.65 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.989 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -59.12 -17.7 39.95 Favored 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.337 3.358 . . . . 0.0 109.593 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 60.4 p -86.17 -42.14 14.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.013 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -68.36 -11.84 60.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.575 ' HD2' ' CD1' ' A' ' 92' ' ' PHE . 2.7 tppp? -87.21 -62.95 1.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.756 ' HB2' ' HB2' ' A' ' 12' ' ' TYR . . . -51.96 -20.91 2.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -76.37 -49.95 15.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -62.92 -44.9 94.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.59 ' O ' HD23 ' A' ' 117' ' ' LEU . 1.5 mt -53.66 -38.64 35.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -66.02 -62.77 1.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.516 ' CZ ' ' HG2' ' A' ' 32' ' ' LYS . 1.1 t80 -48.67 -32.5 8.44 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.809 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.718 ' O ' HG22 ' A' ' 120' ' ' THR . 1.0 OUTLIER -74.45 -42.29 59.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.89 HD12 ' O ' ' A' ' 117' ' ' LEU . 1.6 pp -91.98 33.32 1.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.581 1.176 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.442 HG21 HG21 ' A' ' 28' ' ' ILE . 57.0 m -141.62 -68.02 0.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.356 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -89.09 66.8 7.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.306 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.747 ' HB ' HG23 ' A' ' 77' ' ' VAL . 69.8 p -92.18 66.83 4.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.435 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.04 148.98 9.92 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -80.67 166.49 19.52 Favored 'Trans proline' 0 N--CA 1.447 -1.255 0 C-N-CA 124.291 3.327 . . . . 0.0 109.593 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 2.7 m -76.78 -47.02 22.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.431 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' HEC . . . . . 0.672 ' CMA' ' CZ ' ' A' ' 92' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.75 ' C ' HG23 ' A' ' 2' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.75 HG23 ' C ' ' A' ' 1' ' ' ASP . 3.1 t 87.35 -21.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 23.5 m -47.98 -33.75 8.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.401 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.479 ' HB3' ' CG1' ' A' ' 85' ' ' ILE . 0.4 OUTLIER -76.74 -47.3 22.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.418 1.074 . . . . 0.0 109.256 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.798 ' O ' HG23 ' A' ' 9' ' ' VAL . . . -54.57 -44.45 72.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -65.17 -36.64 84.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.264 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -52.21 64.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.714 HD21 HG23 ' A' ' 85' ' ' ILE . 5.0 mt -51.1 -49.67 60.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.337 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.798 HG23 ' O ' ' A' ' 5' ' ' ALA . 42.2 t -53.17 -51.69 37.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -72.81 -4.71 33.31 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.843 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -97.9 -72.72 0.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.794 ' HB2' ' HB2' ' A' ' 110' ' ' ALA . 93.9 m-85 -50.61 -22.7 2.14 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 114.997 -1.002 . . . . 0.0 109.889 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.427 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 8.8 m -72.3 -40.77 67.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.165 . . . . 0.0 110.425 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.92 -52.94 53.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.9 mt -51.58 -48.84 35.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.76 -58.11 8.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.411 ' HA ' ' O ' ' A' ' 20' ' ' ASN . 70.0 t60 -58.13 -31.02 66.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.602 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 47.9 t -70.64 -14.66 62.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.971 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -100.85 -42.75 6.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.411 ' O ' ' HA ' ' A' ' 17' ' ' HIS . 34.5 m-20 -141.25 128.69 11.9 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -67.18 -6.51 16.35 Favored 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.345 3.363 . . . . 0.0 109.624 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.8 mmt -75.19 -45.28 41.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 110.986 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -78.98 123.42 27.27 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.816 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -120.53 -45.41 2.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.11 . . . . 0.0 110.331 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.646 ' HB1' ' CD ' ' A' ' 26' ' ' PRO . . . -133.89 175.25 3.82 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.646 ' CD ' ' HB1' ' A' ' 25' ' ' ALA . 6.7 Cg_exo -75.25 -167.45 0.43 Allowed 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.308 3.339 . . . . 0.0 109.57 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 32.3 t -160.09 160.78 33.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.018 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 7.3 pt -126.86 53.71 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.718 ' O ' HG22 ' A' ' 29' ' ' THR . 3.5 m -162.21 35.82 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.435 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -143.99 -49.46 0.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' A' ' 35' ' ' PHE . . . -38.88 -52.63 2.55 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 110.951 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -46.44 -74.02 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 0.757 . . . . 0.0 109.282 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 15.4 mt -45.5 -58.6 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -54.17 -18.15 3.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.537 ' CD1' ' CB ' ' A' ' 49' ' ' CYS . 87.0 t80 -110.23 2.75 19.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 111.017 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 32' ' ' LYS . 79.4 m-20 -140.99 28.37 1.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.462 ' O ' ' N ' ' A' ' 39' ' ' PHE . 35.9 ttt85 -106.51 90.73 3.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.355 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.4 ttmm -44.5 95.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.587 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 31.9 p90 -104.12 162.51 13.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.137 . . . . 0.0 110.961 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.58 134.33 52.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.495 HG23 ' O ' ' A' ' 45' ' ' LYS . 19.8 p -84.16 154.54 63.59 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.41 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.867 ' HG3' ' HA3' ' A' ' 101' ' ' GLY . 47.7 Cg_endo -61.32 -9.68 13.58 Favored 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 124.254 3.302 . . . . 0.0 109.606 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 p -102.8 35.06 2.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.987 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 43.2 80.33 0.05 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.486 1.116 . . . . 0.0 110.981 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.495 ' O ' HG23 ' A' ' 41' ' ' THR . 0.3 OUTLIER -175.22 123.13 0.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 0.775 . . . . 0.0 109.295 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -83.38 124.91 31.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.273 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.58 -174.36 3.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.587 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -166.52 154.81 10.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.537 ' CB ' ' CD1' ' A' ' 35' ' ' PHE . 35.4 m -70.44 -8.12 48.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 108.304 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.457 ' HA ' ' O ' ' A' ' 54' ' ' THR . . . -106.4 3.05 26.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.406 ' HB2' ' O ' ' A' ' 48' ' ' ALA . 0.5 OUTLIER -83.44 -16.17 46.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.006 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 21.2 m -126.23 -43.23 1.8 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 108.315 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.511 ' O ' ' OG1' ' A' ' 54' ' ' THR . 79.0 m-70 -95.26 18.86 11.58 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 114.999 -1.001 . . . . 0.0 109.784 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.511 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 49.9 p 50.25 170.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.402 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.442 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 9.6 p30 -52.18 -24.97 7.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.118 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -129.92 127.2 22.73 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.502 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 73.2 Cg_endo -71.08 -43.19 1.68 Allowed 'Trans proline' 0 N--CA 1.448 -1.202 0 C-N-CA 124.333 3.356 . . . . 0.0 109.585 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.407 ' HA ' ' HB2' ' A' ' 74' ' ' ALA . . . -55.09 -18.13 5.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 0.0 109.273 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -86.91 176.19 7.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 51.0 t -77.94 124.5 36.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.414 ' HA2' HG23 ' A' ' 54' ' ' THR . . . -91.89 -169.33 41.15 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.514 1.134 . . . . 0.0 111.002 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.466 ' CG ' ' O ' ' A' ' 68' ' ' LYS . 6.9 ttpt 176.1 131.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 0.749 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -83.01 133.73 35.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.0 pt -83.65 6.92 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 61.5 t -84.63 -49.53 15.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 72.2 p -107.78 -32.78 7.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 110.411 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 88.68 45.16 4.98 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.455 1.097 . . . . 0.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.466 ' O ' ' CG ' ' A' ' 62' ' ' LYS . 0.6 OUTLIER -98.04 -161.56 0.88 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 0.752 . . . . 0.0 109.326 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.469 ' N ' ' CD ' ' A' ' 69' ' ' GLU . 1.2 pm0 -131.73 101.29 5.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.297 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.2 mm -83.59 115.43 59.44 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.404 ' HB3' ' HD2' ' A' ' 72' ' ' PRO . 76.6 Cg_exo -50.02 166.0 0.3 Allowed 'Trans proline' 0 N--CA 1.448 -1.196 0 C-N-CA 124.307 3.338 . . . . 0.0 109.576 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.404 ' HD2' ' HB3' ' A' ' 71' ' ' PRO . 1.3 Cg_endo -42.37 126.55 3.94 Favored 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.311 3.341 . . . . 0.0 109.577 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 75' ' ' PRO . 6.4 tp -81.96 -33.86 30.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.279 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.58 ' HB3' ' HB ' ' A' ' 77' ' ' VAL . . . -37.73 97.8 0.14 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.491 ' HA ' ' CB ' ' A' ' 81' ' ' ARG . 24.4 Cg_exo -63.55 -17.14 58.69 Favored 'Trans proline' 0 N--CA 1.447 -1.265 0 C-N-CA 124.338 3.359 . . . . 0.0 109.609 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.662 ' NH1' HG22 ' A' ' 120' ' ' THR . 0.0 OUTLIER -93.99 -46.09 7.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.326 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.58 ' HB ' ' HB3' ' A' ' 74' ' ' ALA . 15.3 t -54.13 -41.76 52.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.458 ' N ' ' OD1' ' A' ' 78' ' ' ASN . 0.4 OUTLIER -93.69 133.04 37.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 21.2 p -81.31 -7.39 59.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.427 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.93 43.82 1.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.491 ' CB ' ' HA ' ' A' ' 75' ' ' PRO . 51.6 mmt-85 -144.64 170.52 15.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.366 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.489 ' CD1' ' HB3' ' A' ' 75' ' ' PRO . 2.0 m-30 39.09 64.9 0.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 88.8 m -102.34 -61.39 1.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.424 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -85.11 110.23 18.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.272 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.714 HG23 HD21 ' A' ' 8' ' ' LEU . 2.8 mp -69.95 -42.41 79.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.72 -57.67 5.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.451 ' C ' ' N ' ' A' ' 89' ' ' GLU . 0.7 OUTLIER -57.41 -66.17 0.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.627 HG11 HD11 ' A' ' 8' ' ' LEU . 1.2 t -39.93 -30.19 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.451 ' N ' ' C ' ' A' ' 87' ' ' LYS . 1.1 tm-20 -81.06 61.97 4.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.289 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.405 ' CG ' ' O ' ' A' ' 89' ' ' GLU . 1.7 m-20 167.08 -46.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.234 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.453 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 3.6 mm-40 -57.44 -16.62 9.92 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.527 1.142 . . . . 0.0 110.252 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.7 ' CZ ' ' CMA' ' A' ' 125' ' ' HEC . 0.1 OUTLIER -88.09 -23.02 23.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.5 HG23 ' CG ' ' A' ' 103' ' ' ASP . 1.2 m -89.43 -39.58 13.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.403 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -68.13 -29.79 68.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.582 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.2 t60 -68.33 -59.25 3.33 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.775 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.418 ' C ' ' O ' ' A' ' 102' ' ' ALA . 7.7 m -55.9 -23.99 34.78 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.342 -0.844 . . . . 0.0 109.564 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.408 ' HA ' ' N ' ' A' ' 102' ' ' ALA . 1.8 m-20 -82.12 -13.33 57.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.257 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -117.18 4.78 12.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.582 HG13 ' CE1' ' A' ' 95' ' ' HIS . 36.3 mm -120.82 -50.6 3.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.57 HD12 ' SG ' ' A' ' 104' ' ' CYS . 52.7 mt -98.24 -25.18 14.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.867 ' HA3' ' HG3' ' A' ' 42' ' ' PRO . . . 99.13 13.87 37.95 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 96' ' ' CYS . . . -164.91 -172.41 2.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 0.778 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.5 ' CG ' HG23 ' A' ' 93' ' ' THR . 14.5 t0 -93.08 122.53 35.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.359 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.57 ' SG ' HD12 ' A' ' 100' ' ' LEU . 35.8 m -59.37 162.24 4.92 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.031 -0.986 . . . . 0.0 109.531 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 6.7 t -78.39 141.41 61.38 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 109.997 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_endo -57.14 -15.65 18.8 Favored 'Trans proline' 0 N--CA 1.447 -1.257 0 C-N-CA 124.329 3.352 . . . . 0.0 109.585 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 60.1 p -85.57 -43.21 13.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.968 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -70.8 -9.9 58.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 110.245 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.571 ' HD2' ' CD1' ' A' ' 92' ' ' PHE . 0.6 OUTLIER -86.28 -62.65 1.47 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.349 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.794 ' HB2' ' HB2' ' A' ' 12' ' ' TYR . . . -56.47 -18.37 11.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 109.254 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -77.17 -52.36 9.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.254 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.718 ' CE2' HD22 ' A' ' 116' ' ' LEU . 57.0 t80 -61.53 -43.16 99.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.575 1.172 . . . . 0.0 110.985 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.547 HG22 HG22 ' A' ' 9' ' ' VAL . 1.4 mt -53.7 -34.44 24.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 118' ' ' THR . . . -71.15 -69.82 0.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -41.05 -27.66 0.07 Allowed 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 114.999 -1.001 . . . . 0.0 109.81 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.718 HD22 ' CE2' ' A' ' 112' ' ' PHE . 0.3 OUTLIER -79.61 -48.29 14.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.145 . . . . 0.0 109.331 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.884 HD12 ' O ' ' A' ' 117' ' ' LEU . 1.0 OUTLIER -85.72 12.9 7.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.266 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 114' ' ' ALA . 6.8 m -99.96 -67.54 0.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.367 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -63.32 126.42 27.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.312 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.662 HG22 ' NH1' ' A' ' 76' ' ' ARG . 70.2 p -117.21 42.59 2.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.383 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.87 145.7 0.65 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.113 . . . . 0.0 109.321 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -76.24 167.11 26.49 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.295 3.33 . . . . 0.0 109.594 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 3.8 t -55.05 -24.88 27.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.401 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' HEC . . . . . 0.7 ' CMA' ' CZ ' ' A' ' 92' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.727 ' C ' HG23 ' A' ' 2' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.727 HG23 ' C ' ' A' ' 1' ' ' ASP . 3.2 t 87.17 -41.53 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.1 m -40.8 -43.55 2.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.359 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.783 ' HB3' HD12 ' A' ' 85' ' ' ILE . 0.5 OUTLIER -78.24 -47.64 17.51 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.103 . . . . 0.0 109.28 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.405 ' HB3' ' HA ' ' A' ' 2' ' ' VAL . . . -49.65 -49.98 45.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -59.72 -44.87 93.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.112 . . . . 0.0 110.307 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 11' ' ' LYS . 1.7 mmtt -57.1 -47.91 79.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.672 HD21 ' CG1' ' A' ' 85' ' ' ILE . 9.9 mt -53.29 -53.5 49.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.667 HG21 HD21 ' A' ' 117' ' ' LEU . 93.2 t -59.08 -37.74 69.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -79.28 -6.71 57.3 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.864 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 14' ' ' ASN . 4.5 mmtt -102.73 -72.34 0.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.738 ' CB ' ' HB2' ' A' ' 110' ' ' ALA . 80.8 m-85 -46.14 -24.36 0.44 Allowed 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.807 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.42 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 11.6 m -73.33 -37.86 65.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.364 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 11' ' ' LYS . 4.5 m-80 -66.44 -52.31 47.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.5 mt -52.33 -51.73 30.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.85 -57.46 9.28 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -57.28 -33.33 67.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.615 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 39.7 t -72.59 -8.21 54.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 110.031 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -112.78 -42.73 3.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.282 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -134.85 96.41 14.71 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_exo -44.51 -24.74 1.16 Allowed 'Trans proline' 0 N--CA 1.447 -1.257 0 C-N-CA 124.324 3.349 . . . . 0.0 109.615 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 3.5 mtt -60.65 -45.24 94.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.968 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -75.95 118.08 18.34 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.82 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -114.72 -44.56 3.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.584 ' HB1' ' CD ' ' A' ' 26' ' ' PRO . . . -136.79 172.88 6.23 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.165 . . . . 0.0 109.28 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.584 ' CD ' ' HB1' ' A' ' 25' ' ' ALA . 1.4 Cg_endo -85.58 -173.76 1.44 Allowed 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.287 3.325 . . . . 0.0 109.605 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.2 t -154.8 162.64 41.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.992 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.0 pt -118.23 48.47 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.294 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.67 ' O ' HG22 ' A' ' 29' ' ' THR . 14.1 m -160.78 36.82 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.42 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' A' ' 30' ' ' ASP . 0.0 OUTLIER -142.39 -46.14 0.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.086 . . . . 0.0 109.343 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 35' ' ' PHE . . . -49.09 -45.79 33.51 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.483 1.114 . . . . 0.0 111.005 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.494 ' HB3' ' CZ ' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -49.23 -51.13 35.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 0.79 . . . . 0.0 109.283 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.2 mt -62.91 -59.06 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.32 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -55.71 -16.44 4.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.585 ' CD1' ' HB2' ' A' ' 49' ' ' CYS . 89.6 t80 -111.03 4.05 19.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.42 ' OD1' ' O ' ' A' ' 35' ' ' PHE . 75.7 m-20 -140.42 24.24 2.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.356 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -106.87 100.31 9.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.34 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.6 ttmt -52.2 95.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.573 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 26.3 p90 -100.53 163.97 12.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -108.46 143.0 38.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 45' ' ' LYS . 25.3 p -96.69 153.4 38.74 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 110.417 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.754 ' HG3' ' HA3' ' A' ' 101' ' ' GLY . 61.2 Cg_endo -64.57 -7.95 15.91 Favored 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.321 3.347 . . . . 0.0 109.602 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 p -99.52 32.53 2.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.566 1.166 . . . . 0.0 109.971 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 46.31 72.32 0.41 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.412 ' O ' HG23 ' A' ' 41' ' ' THR . 11.0 ttpp -176.43 135.73 0.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 0.744 . . . . 0.0 109.292 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -91.38 151.73 20.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.322 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -163.0 -179.93 7.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.573 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -159.04 155.48 27.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.585 ' HB2' ' CD1' ' A' ' 35' ' ' PHE . 29.3 m -70.5 -8.52 51.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 108.298 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.45 ' HA ' ' O ' ' A' ' 54' ' ' THR . . . -105.41 2.83 29.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.408 ' HB2' ' O ' ' A' ' 48' ' ' ALA . 0.3 OUTLIER -82.57 -16.67 47.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.112 . . . . 0.0 110.025 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 68.2 m -125.95 -45.86 1.71 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.153 . . . . 0.0 108.297 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.506 ' O ' ' O ' ' A' ' 54' ' ' THR . 59.1 m-70 -92.68 18.54 8.62 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 114.975 -1.011 . . . . 0.0 109.783 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.506 ' O ' ' O ' ' A' ' 53' ' ' HIS . 36.5 p 49.55 171.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 110.389 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -52.48 -21.7 4.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -134.82 126.24 17.78 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.883 ' HB3' HD23 ' A' ' 73' ' ' LEU . 69.4 Cg_endo -70.56 -43.57 1.93 Allowed 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.301 3.334 . . . . 0.0 109.584 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.2 -18.67 4.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -89.23 171.24 9.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 73.0 t -71.07 135.83 27.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.253 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -110.24 -176.12 20.82 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.46 1.1 . . . . 0.0 110.938 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.3 tttt -161.02 133.99 6.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 0.743 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.651 ' ND2' HD11 ' A' ' 70' ' ' ILE . 80.7 m-20 -80.56 126.37 31.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.6 pt -84.51 7.42 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 55.4 t -86.61 -56.17 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.1 p -111.79 -33.42 6.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.43 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 84.33 40.03 8.73 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.485 1.116 . . . . 0.0 111.024 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.453 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 1.4 tppp? -77.83 -92.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 0.77 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.453 ' HB3' ' O ' ' A' ' 68' ' ' LYS . 13.0 pt-20 176.35 120.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.651 HD11 ' ND2' ' A' ' 63' ' ' ASN . 2.2 mm -111.61 127.86 26.26 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -77.63 167.49 24.04 Favored 'Trans proline' 0 N--CA 1.447 -1.221 0 C-N-CA 124.292 3.328 . . . . 0.0 109.594 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_exo -36.89 131.85 0.44 Allowed 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 124.323 3.349 . . . . 0.0 109.555 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.883 HD23 ' HB3' ' A' ' 57' ' ' PRO . 6.6 tp -82.57 -30.73 29.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.643 ' HA ' HD12 ' A' ' 116' ' ' LEU . . . -39.99 99.63 0.2 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.632 ' HB3' ' CD1' ' A' ' 82' ' ' PHE . 24.6 Cg_exo -62.94 -11.35 24.11 Favored 'Trans proline' 0 N--CA 1.448 -1.181 0 C-N-CA 124.312 3.342 . . . . 0.0 109.581 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.1 ttp85 -97.95 -45.63 6.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 110.278 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.496 ' HB ' ' HB3' ' A' ' 74' ' ' ALA . 19.6 t -48.32 -42.92 11.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.492 ' OD1' HG12 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -102.48 149.26 24.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.26 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.402 ' O ' ' OG1' ' A' ' 83' ' ' THR . 25.1 p -81.92 -45.4 15.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 110.382 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -72.14 59.27 0.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 49.6 mmt-85 -143.56 -90.98 0.12 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.55 1.157 . . . . 0.0 110.317 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.632 ' CD1' ' HB3' ' A' ' 75' ' ' PRO . 2.3 m-30 -80.46 48.54 1.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.97 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 79' ' ' THR . 32.0 m -87.85 -10.46 50.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.405 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.587 ' O ' HG23 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -130.67 117.61 19.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 109.339 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.783 HD12 ' HB3' ' A' ' 4' ' ' ASN . 7.4 tt -90.21 9.72 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.02 -76.89 0.44 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.467 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 3.3 tttt -48.01 -25.99 1.61 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.163 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 84' ' ' ASP . 1.4 t -41.21 -53.72 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -86.42 75.24 9.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 110.259 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -174.96 -71.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.482 ' HG3' ' N ' ' A' ' 92' ' ' PHE . 8.7 pt-20 -57.9 -35.65 71.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.576 ' CD1' ' HD2' ' A' ' 109' ' ' LYS . 0.1 OUTLIER -61.45 -30.23 70.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 110.947 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.563 HG23 ' CG ' ' A' ' 103' ' ' ASP . 1.1 m -85.65 -36.96 19.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.377 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.34 -28.63 65.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.551 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.3 t60 -67.14 -59.11 3.73 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.793 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.403 ' C ' ' O ' ' A' ' 102' ' ' ALA . 9.6 m -57.15 -23.26 46.16 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.617 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.451 ' HA ' ' N ' ' A' ' 102' ' ' ALA . 1.9 m-80 -81.76 -12.75 58.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.8 8.69 11.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.431 1.082 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.551 HG13 ' CE1' ' A' ' 95' ' ' HIS . 45.1 mm -126.01 -43.9 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.723 HD12 ' SG ' ' A' ' 104' ' ' CYS . 50.8 mt -105.18 -30.77 9.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.754 ' HA3' ' HG3' ' A' ' 42' ' ' PRO . . . 108.36 10.34 25.78 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.537 1.148 . . . . 0.0 110.983 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.451 ' N ' ' HA ' ' A' ' 97' ' ' ASN . . . -169.13 -175.85 2.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 0.73 . . . . 0.0 109.293 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.563 ' CG ' HG23 ' A' ' 93' ' ' THR . 9.9 t0 -85.9 124.68 32.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.723 ' SG ' HD12 ' A' ' 100' ' ' LEU . 56.2 m -61.0 160.81 9.26 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.584 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 29.2 t -71.73 143.76 87.5 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 0.0 110.0 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -57.31 -20.42 39.38 Favored 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 124.351 3.368 . . . . 0.0 109.589 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 60.1 p -81.32 -40.86 22.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.997 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -66.92 -18.71 65.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.321 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.576 ' HD2' ' CD1' ' A' ' 92' ' ' PHE . 1.2 tppp? -81.51 -59.19 2.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.738 ' HB2' ' CB ' ' A' ' 12' ' ' TYR . . . -56.63 -17.77 9.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.408 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 0.2 OUTLIER -81.86 -53.01 6.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.319 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.769 ' CZ ' HD21 ' A' ' 116' ' ' LEU . 77.0 t80 -57.2 -46.55 82.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 0.0 111.028 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.5 ' O ' HD23 ' A' ' 117' ' ' LEU . 1.5 mt -53.91 -34.49 25.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 111' ' ' ASN . . . -69.65 -65.51 0.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.494 ' CZ ' ' HB3' ' A' ' 32' ' ' LYS . 0.9 OUTLIER -49.66 -29.95 8.2 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.805 -179.912 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.769 HD21 ' CZ ' ' A' ' 112' ' ' PHE . 2.3 mm? -74.85 -44.12 50.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.743 HD12 ' O ' ' A' ' 117' ' ' LEU . 1.6 pp -86.37 10.15 15.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.722 ' O ' HG23 ' A' ' 120' ' ' THR . 24.1 m -97.34 -68.82 0.78 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.54 1.15 . . . . 0.0 110.39 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -61.46 101.48 0.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 110.268 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.722 HG23 ' O ' ' A' ' 118' ' ' THR . 69.3 p -99.53 43.76 1.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.385 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.37 149.94 0.97 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -71.69 166.94 27.9 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.344 3.363 . . . . 0.0 109.593 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 2.5 m -73.59 -58.63 3.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 110.401 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 2.3 mttt . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 179.974 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 125' ' ' HEC . . . . . 0.676 HBB3 HMB1 ' A' ' 125' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.752 ' C ' HG23 ' A' ' 2' ' ' VAL . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.752 HG23 ' C ' ' A' ' 1' ' ' ASP . 3.0 t 86.95 -38.86 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.6 m -57.23 -16.5 8.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.435 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -106.01 -67.09 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.259 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.781 ' O ' HG23 ' A' ' 9' ' ' VAL . . . -43.04 -32.76 0.71 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.45 ' CB ' ' O ' ' A' ' 2' ' ' VAL . 19.3 tp10 -70.01 -44.78 68.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 4' ' ' ASN . 0.1 OUTLIER -57.87 -47.28 83.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.411 HD11 ' CG1' ' A' ' 88' ' ' VAL . 6.2 mt -54.5 -53.4 54.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.26 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.781 HG23 ' O ' ' A' ' 5' ' ' ALA . 62.1 t -54.36 -53.01 33.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -71.33 -2.7 17.22 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.014 -0.993 . . . . 0.0 109.827 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 7' ' ' LYS . 26.7 mmtt -101.4 -72.96 0.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.735 ' CB ' ' HB2' ' A' ' 110' ' ' ALA . 92.4 m-85 -50.48 -22.06 1.76 Allowed 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.823 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.44 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 27.9 m -76.28 -45.7 31.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 110.397 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.423 ' O ' ' N ' ' A' ' 18' ' ' SER . 2.1 m120 -60.79 -51.11 70.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.4 mt -53.8 -46.22 62.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.07 -40.91 95.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.342 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.464 ' ND1' ' O ' ' A' ' 23' ' ' TYR . 13.8 t60 -71.23 -31.15 67.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.102 . . . . 0.0 109.658 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 14' ' ' ASN . 31.6 t -70.88 -16.68 62.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.102 . . . . 0.0 110.017 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -101.96 -31.06 10.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.259 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -141.87 114.03 6.49 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -77.2 48.55 2.56 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.283 3.322 . . . . 0.0 109.601 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 24.7 ptt? -151.54 39.08 0.64 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 111.047 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.464 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 51.3 t80 -150.49 122.47 8.21 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.816 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -101.0 -45.57 5.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.669 ' HB1' ' CD ' ' A' ' 26' ' ' PRO . . . -167.14 175.99 1.89 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.252 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.669 ' CD ' ' HB1' ' A' ' 25' ' ' ALA . 23.7 Cg_exo -68.69 -172.97 0.51 Allowed 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.326 3.351 . . . . 0.0 109.584 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.14 21.57 1.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.986 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 44.7 pt 43.91 49.56 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 109.324 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 92.5 m -127.94 -62.87 1.04 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.132 . . . . 0.0 110.431 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.511 ' HB2' ' ND2' ' A' ' 111' ' ' ASN . 0.2 OUTLIER -43.84 -37.16 2.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.582 ' O ' ' CD2' ' A' ' 115' ' ' TYR . . . -69.22 58.94 0.59 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.485 1.116 . . . . 0.0 111.023 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.479 ' HG2' ' CZ ' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -161.67 -62.02 0.05 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.537 0.787 . . . . 0.0 109.304 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 22.7 mt -76.81 -49.3 23.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.613 ' CZ ' ' CD ' ' A' ' 108' ' ' GLU . 32.0 t80 -54.9 -19.83 7.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.604 ' CD1' ' CB ' ' A' ' 49' ' ' CYS . 87.0 t80 -109.23 4.09 22.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.424 ' OD1' ' O ' ' A' ' 35' ' ' PHE . 82.0 m-20 -142.21 27.89 1.73 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.418 1.074 . . . . 0.0 109.27 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 39' ' ' PHE . 2.3 tpm_? -105.11 94.47 5.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -45.41 94.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.589 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 25.6 p90 -107.51 158.24 17.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.976 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.89 139.89 41.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.423 ' HB ' ' HD2' ' A' ' 42' ' ' PRO . 30.0 p -87.95 154.78 52.72 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.428 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.781 ' HG3' ' HA3' ' A' ' 101' ' ' GLY . 44.9 Cg_endo -60.91 -7.98 8.76 Favored 'Trans proline' 0 N--CA 1.448 -1.202 0 C-N-CA 124.313 3.342 . . . . 0.0 109.604 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -102.21 32.49 3.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.021 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 45.8 79.6 0.06 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.56 1.162 . . . . 0.0 110.985 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 20.4 ttpt -174.88 129.46 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 0.742 . . . . 0.0 109.327 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -88.93 124.17 33.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.245 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -136.89 -171.07 2.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.594 ' O ' HMC3 ' A' ' 125' ' ' HEC . . . -171.72 154.33 3.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.107 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.604 ' CB ' ' CD1' ' A' ' 35' ' ' PHE . 22.0 m -70.69 -8.14 49.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 108.311 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.44 ' HA ' ' O ' ' A' ' 54' ' ' THR . . . -106.5 4.61 28.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.401 ' HB2' ' O ' ' A' ' 48' ' ' ALA . 0.3 OUTLIER -83.92 -20.17 33.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.964 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.412 ' HA ' ' O ' ' A' ' 62' ' ' LYS . 85.8 m -123.69 -47.73 1.94 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 108.248 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.51 ' O ' ' OG1' ' A' ' 54' ' ' THR . 56.6 m-70 -89.49 16.46 7.62 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 115.034 -0.984 . . . . 0.0 109.709 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.51 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 51.4 p 50.07 170.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 110.388 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -52.52 -25.71 11.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -129.01 124.76 22.56 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 109.313 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.462 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 60.2 Cg_endo -70.58 -37.97 6.58 Favored 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.301 3.334 . . . . 0.0 109.6 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.559 ' HA ' ' HB2' ' A' ' 74' ' ' ALA . . . -60.45 -14.22 18.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -91.61 173.66 7.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.336 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.3 t -75.5 121.86 28.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.478 ' HA2' HG23 ' A' ' 54' ' ' THR . . . -92.19 -174.85 42.2 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.536 1.147 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 52' ' ' CYS . 3.9 ttpm? -161.71 135.34 6.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 0.795 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.912 ' ND2' HD11 ' A' ' 70' ' ' ILE . 89.1 m-20 -85.24 131.28 34.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.3 pt -85.36 6.75 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 64.6 t -88.13 -52.33 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 76.7 p -109.46 -33.46 6.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 110.375 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 80.93 36.46 21.89 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.522 1.139 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.403 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 0.2 OUTLIER -83.63 -95.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 0.743 . . . . 0.0 109.264 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.403 ' HB3' ' O ' ' A' ' 68' ' ' LYS . 11.3 pt-20 -179.21 122.88 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.912 HD11 ' ND2' ' A' ' 63' ' ' ASN . 2.6 mm -109.39 106.7 58.94 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.41 ' HB2' ' NH2' ' A' ' 81' ' ' ARG . 78.4 Cg_exo -49.62 165.13 0.29 Allowed 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.29 3.327 . . . . 0.0 109.628 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.403 ' HD2' ' HB3' ' A' ' 71' ' ' PRO . 0.9 OUTLIER -41.61 127.44 3.38 Favored 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.306 3.338 . . . . 0.0 109.649 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.617 HD11 ' O2A' ' A' ' 125' ' ' HEC . 5.3 tp -84.41 -28.46 26.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.275 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.559 ' HB2' ' HA ' ' A' ' 58' ' ' ALA . . . -37.1 96.51 0.11 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.618 ' HB3' ' CD1' ' A' ' 82' ' ' PHE . 21.9 Cg_exo -67.01 54.13 0.44 Allowed 'Trans proline' 0 N--CA 1.448 -1.187 0 C-N-CA 124.306 3.337 . . . . 0.0 109.568 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.436 ' NH1' ' CG2' ' A' ' 120' ' ' THR . 10.0 ttt180 -166.05 -53.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.275 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 14.3 t -44.6 -41.92 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.456 ' N ' ' OD1' ' A' ' 78' ' ' ASN . 0.4 OUTLIER -92.01 153.09 19.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.2 p -93.49 3.46 55.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.38 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.76 45.16 2.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.41 ' NH2' ' HB2' ' A' ' 71' ' ' PRO . 28.9 mmt-85 -146.24 145.79 30.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 110.267 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.618 ' CD1' ' HB3' ' A' ' 75' ' ' PRO . 0.4 OUTLIER 56.34 44.39 24.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 111.033 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.745 HG22 ' O ' ' A' ' 83' ' ' THR . 1.4 m -121.88 58.71 1.01 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 110.39 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 85' ' ' ILE . 37.4 p-10 177.36 66.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.412 ' C ' ' O ' ' A' ' 84' ' ' ASP . 7.2 mt -39.48 -47.98 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.257 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -41.05 -57.98 1.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -101.16 98.01 8.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 109.262 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.411 ' CG1' HD11 ' A' ' 8' ' ' LEU . 0.5 OUTLIER 173.82 -34.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.155 . . . . 0.0 109.309 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -72.15 -46.82 54.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 110.295 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -74.75 -45.4 44.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -53.94 -20.75 6.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.345 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.61 ' CZ ' ' CMA' ' A' ' 125' ' ' HEC . 0.1 OUTLIER -85.74 -25.23 26.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.459 HG23 ' OD2' ' A' ' 103' ' ' ASP . 1.0 OUTLIER -89.06 -30.49 18.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.427 1.08 . . . . 0.0 110.435 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.5 mmtt -76.67 -32.76 58.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.249 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.589 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.5 t60 -66.79 -58.54 4.85 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.019 -0.992 . . . . 0.0 109.75 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 41.5 m -56.45 -25.96 52.27 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.566 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.426 ' HA ' ' N ' ' A' ' 102' ' ' ALA . 1.6 m-80 -80.32 -12.3 59.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.89 7.67 12.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.589 HG13 ' CE1' ' A' ' 95' ' ' HIS . 47.3 mm -124.69 -45.59 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.255 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.429 ' O ' ' CD ' ' A' ' 42' ' ' PRO . 47.1 mt -103.66 -28.69 11.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.781 ' HA3' ' HG3' ' A' ' 42' ' ' PRO . . . 104.78 10.51 32.6 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.435 1.085 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.426 ' N ' ' HA ' ' A' ' 97' ' ' ASN . . . -164.2 -174.24 3.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 0.746 . . . . 0.0 109.306 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.459 ' OD2' HG23 ' A' ' 93' ' ' THR . 13.4 t0 -88.26 124.57 34.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.227 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 14.5 m -54.13 164.19 0.68 Allowed 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.605 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.495 ' O ' ' HG3' ' A' ' 108' ' ' GLU . 23.2 t -76.9 144.11 71.97 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.982 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.405 ' HD2' ' OG ' ' A' ' 105' ' ' SER . 66.8 Cg_endo -64.29 -10.08 22.36 Favored 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.288 3.325 . . . . 0.0 109.643 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 63.1 p -100.42 -46.91 5.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.013 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.613 ' CD ' ' CZ ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -66.9 -8.46 29.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.583 ' HD2' ' CD1' ' A' ' 92' ' ' PHE . 2.3 tppp? -92.63 -64.48 1.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.735 ' HB2' ' CB ' ' A' ' 12' ' ' TYR . . . -47.04 -25.06 0.74 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.511 ' ND2' ' HB2' ' A' ' 30' ' ' ASP . 8.3 t-20 -73.53 -58.13 3.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.885 ' CE2' HD11 ' A' ' 116' ' ' LEU . 45.8 t80 -51.53 -43.26 62.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 111.023 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.644 ' O ' HD23 ' A' ' 117' ' ' LEU . 1.8 mt -55.21 -34.28 32.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 117' ' ' LEU . . . -70.86 -65.86 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.582 ' CD2' ' O ' ' A' ' 31' ' ' GLY . 0.6 OUTLIER -44.37 -31.65 1.11 Allowed 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.863 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.885 HD11 ' CE2' ' A' ' 112' ' ' PHE . 16.9 mt -74.84 -42.2 58.42 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.874 HD12 ' O ' ' A' ' 117' ' ' LEU . 1.1 pp -92.07 28.61 1.82 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 2.4 m -119.54 -62.33 1.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.428 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -72.67 123.49 23.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.322 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.436 ' CG2' ' NH1' ' A' ' 76' ' ' ARG . 61.5 p -123.98 48.76 1.85 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.377 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -166.56 113.34 0.71 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -47.1 174.5 0.02 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.321 3.347 . . . . 0.0 109.627 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 3.4 m -63.88 -48.69 75.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.405 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 9.1 ptmt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 179.997 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 125' ' ' HEC . . . . . 0.659 HBB3 HMB1 ' A' ' 125' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.735 HG13 ' O ' ' A' ' 2' ' ' VAL . 1.5 p -90.84 42.77 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.556 HG23 ' O ' ' A' ' 3' ' ' THR . 0.6 OUTLIER -82.8 14.39 3.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.409 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.493 ' HA ' HD11 ' A' ' 85' ' ' ILE . 0.1 OUTLIER -105.02 -63.61 1.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.965 ' CB ' HD21 ' A' ' 117' ' ' LEU . . . -37.74 -52.31 1.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -43.85 -46.01 7.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 110.338 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.485 ' HE3' HG21 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -57.83 -55.18 38.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.478 HD22 ' CE2' ' A' ' 12' ' ' TYR . 9.9 mt -47.62 -45.77 27.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.522 HG22 HG22 ' A' ' 113' ' ' ILE . 89.5 t -57.34 -52.18 60.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -74.13 -0.12 15.63 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.837 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.5 tptt -100.87 -72.04 0.69 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.666 ' HB2' ' HB2' ' A' ' 110' ' ' ALA . 90.8 m-85 -53.52 -21.01 5.59 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.814 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.438 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 50.1 m -78.83 -50.49 11.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.442 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -58.72 -54.85 42.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.5 mt -49.18 -49.34 16.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.469 ' O ' ' ND2' ' A' ' 20' ' ' ASN . . . -56.52 -49.98 73.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.47 ' ND1' ' O ' ' A' ' 23' ' ' TYR . 9.8 t60 -61.92 -31.92 72.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.562 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 34.5 t -69.33 -12.26 61.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.117 . . . . 0.0 110.004 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -98.79 -39.29 8.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.504 HD22 ' N ' ' A' ' 20' ' ' ASN . 0.4 OUTLIER -144.89 134.29 11.38 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 0.0 109.311 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -82.37 52.69 4.2 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.289 3.326 . . . . 0.0 109.6 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 24.2 ptm -151.28 40.77 0.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.983 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.47 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 20.9 t80 -152.71 108.25 3.29 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.82 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -91.28 -48.15 7.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 110.278 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.635 ' HB1' ' CD ' ' A' ' 26' ' ' PRO . . . -156.37 175.02 3.45 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.635 ' CD ' ' HB1' ' A' ' 25' ' ' ALA . 7.0 Cg_exo -75.01 -170.09 0.73 Allowed 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.346 3.364 . . . . 0.0 109.573 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.0 t -137.9 160.8 38.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.003 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.3 pt -115.26 25.81 4.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 64.8 m -149.76 36.55 0.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.39 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 33' ' ' ILE . 7.8 t70 -145.62 -44.91 0.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -47.89 -22.62 2.11 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.471 1.107 . . . . 0.0 110.989 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.482 ' HB3' ' CZ ' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -72.94 -35.75 67.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 0.743 . . . . 0.0 109.268 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 30' ' ' ASP . 31.5 mt -71.3 -55.28 14.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -60.27 -13.33 12.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.52 ' CD1' ' CB ' ' A' ' 49' ' ' CYS . 89.2 t80 -112.33 4.52 17.71 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.095 . . . . 0.0 110.989 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.418 ' OD1' ' O ' ' A' ' 35' ' ' PHE . 73.7 m-20 -140.1 23.48 2.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.5 ttt85 -105.67 98.23 7.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.305 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.8 ttmt -51.61 95.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.245 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.547 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 26.2 p90 -99.12 164.73 12.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.75 148.39 26.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 67.1 p -104.61 154.04 38.76 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.398 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.779 ' HG3' ' HA3' ' A' ' 101' ' ' GLY . 72.3 Cg_endo -67.4 -4.88 12.68 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.304 3.336 . . . . 0.0 109.572 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 p -106.36 27.01 9.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.142 . . . . 0.0 109.998 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.409 ' O ' ' HB2' ' A' ' 45' ' ' LYS . . . 46.3 79.54 0.06 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.491 1.119 . . . . 0.0 110.961 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 44' ' ' GLY . 0.6 OUTLIER 176.31 95.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 0.785 . . . . 0.0 109.291 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.21 154.85 2.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.272 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -165.36 176.48 8.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.363 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.547 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -154.99 154.56 32.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.52 ' CB ' ' CD1' ' A' ' 35' ' ' PHE . 58.7 m -66.83 -10.67 50.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 108.322 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.443 ' HB1' ' HA ' ' A' ' 55' ' ' ASN . . . -105.49 7.01 32.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.488 ' OG ' ' CMC' ' A' ' 125' ' ' HEC . 91.1 p -76.56 -31.01 57.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.414 1.071 . . . . 0.0 110.011 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 63.9 m -117.17 -45.55 2.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 108.3 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.514 ' O ' ' OG1' ' A' ' 54' ' ' THR . 67.4 m-70 -84.51 13.96 5.02 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.73 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.514 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 74.0 p 50.72 170.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 110.442 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.443 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 5.8 p30 -55.15 -21.64 14.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -130.3 125.05 21.6 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -72.17 -45.34 0.67 Allowed 'Trans proline' 0 N--CA 1.447 -1.245 0 C-N-CA 124.285 3.324 . . . . 0.0 109.625 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.632 ' HA ' ' HB2' ' A' ' 74' ' ' ALA . . . -55.48 -17.95 6.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -85.71 172.73 10.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.251 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 70.3 t -77.29 120.1 27.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 109.325 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.488 ' HA2' HG23 ' A' ' 54' ' ' THR . . . -90.4 -175.85 44.71 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.526 1.142 . . . . 0.0 111.051 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.3 ttmm -159.38 136.91 9.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.429 0.723 . . . . 0.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.932 ' ND2' HD11 ' A' ' 70' ' ' ILE . 86.5 m-20 -87.1 130.8 34.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.261 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.0 pt -84.76 8.14 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 53.4 t -89.8 -53.68 8.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.264 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 77.6 p -108.64 -31.76 7.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.343 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 78.77 37.15 27.05 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.515 1.134 . . . . 0.0 111.025 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.1 mmtt -84.26 -95.32 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 0.774 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -178.71 122.67 0.09 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.123 . . . . 0.0 110.317 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.932 HD11 ' ND2' ' A' ' 63' ' ' ASN . 3.1 mm -108.81 105.65 57.43 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -48.86 164.8 0.21 Allowed 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.333 3.355 . . . . 0.0 109.555 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -42.69 128.75 5.03 Favored 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.294 3.329 . . . . 0.0 109.616 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 75' ' ' PRO . 5.7 tp -85.06 -23.85 28.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.632 ' HB2' ' HA ' ' A' ' 58' ' ' ALA . . . -37.17 97.4 0.13 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.625 ' HB3' ' CD1' ' A' ' 82' ' ' PHE . 21.6 Cg_exo -66.38 55.01 0.4 Allowed 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.333 3.355 . . . . 0.0 109.595 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 74' ' ' ALA . 3.4 ttt180 -169.72 -51.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.319 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 18.2 t -46.22 -42.15 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.478 ' N ' ' OD1' ' A' ' 78' ' ' ASN . 0.2 OUTLIER -97.17 146.33 25.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 19.7 p -80.14 -24.2 40.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.417 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp -93.03 46.37 1.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.117 . . . . 0.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 64.3 mmt-85 -146.27 142.72 28.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.278 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.625 ' CD1' ' HB3' ' A' ' 75' ' ' PRO . 0.8 OUTLIER 53.29 40.47 31.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 111.023 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.729 HG22 ' O ' ' A' ' 83' ' ' THR . 1.4 m -117.8 58.4 0.8 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.372 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 46.2 p-10 176.2 65.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.493 HD11 ' HA ' ' A' ' 4' ' ' ASN . 96.8 mt -41.25 -48.92 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -42.23 -56.7 2.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 11.6 tttt -102.55 92.99 4.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.31 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER 175.85 -35.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.45 -12.99 60.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.299 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -99.55 -48.57 4.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.258 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -55.72 -33.71 64.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.324 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.668 ' CZ ' ' CMA' ' A' ' 125' ' ' HEC . 0.1 OUTLIER -66.35 -26.73 67.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 110.991 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.462 HG23 ' CG ' ' A' ' 103' ' ' ASP . 1.2 m -89.69 -34.76 16.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.406 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.04 -29.25 63.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.57 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.3 t60 -67.65 -58.11 5.24 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.802 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.412 ' C ' ' O ' ' A' ' 102' ' ' ALA . 5.9 m -55.81 -23.82 32.56 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.588 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.459 ' HA ' ' N ' ' A' ' 102' ' ' ALA . 2.2 m-80 -80.38 -13.69 58.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -117.57 4.21 12.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.57 HG13 ' CE1' ' A' ' 95' ' ' HIS . 20.4 mm -119.05 -49.81 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.669 HD12 ' SG ' ' A' ' 104' ' ' CYS . 50.2 mt -100.41 -26.25 13.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.779 ' HA3' ' HG3' ' A' ' 42' ' ' PRO . . . 103.56 11.34 33.41 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.538 1.149 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.459 ' N ' ' HA ' ' A' ' 97' ' ' ASN . . . -168.8 -174.84 2.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 0.767 . . . . 0.0 109.258 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.462 ' CG ' HG23 ' A' ' 93' ' ' THR . 30.1 t0 -84.71 126.76 33.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.669 ' SG ' HD12 ' A' ' 100' ' ' LEU . 55.0 m -64.69 161.04 18.62 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 114.966 -1.016 . . . . 0.0 109.59 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.473 ' HB3' ' CG ' ' A' ' 108' ' ' GLU . 33.2 t -66.46 143.73 98.35 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.441 1.088 . . . . 0.0 110.008 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -60.06 -20.39 60.69 Favored 'Trans proline' 0 N--CA 1.447 -1.246 0 C-N-CA 124.332 3.354 . . . . 0.0 109.599 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 64.4 p -88.92 -43.12 11.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.958 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.473 ' CG ' ' HB3' ' A' ' 105' ' ' SER . 9.1 mm-40 -59.05 -15.61 14.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.571 ' HD2' ' CD1' ' A' ' 92' ' ' PHE . 2.4 tppt? -80.64 -65.11 1.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.666 ' HB2' ' HB2' ' A' ' 12' ' ' TYR . . . -53.17 -20.59 4.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -73.87 -37.2 64.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.891 ' CZ ' HD11 ' A' ' 116' ' ' LEU . 40.5 t80 -79.45 -44.74 20.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.967 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.522 HG22 HG22 ' A' ' 9' ' ' VAL . 2.5 mt -54.95 -43.63 69.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 115' ' ' TYR . . . -60.26 -70.11 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.482 ' CZ ' ' HB3' ' A' ' 32' ' ' LYS . 1.5 t80 -38.02 -47.42 1.1 Allowed 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.807 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.891 HD11 ' CZ ' ' A' ' 112' ' ' PHE . 27.5 mt -59.95 -64.75 0.84 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.965 HD21 ' CB ' ' A' ' 5' ' ' ALA . 59.2 mt -41.7 -37.56 1.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.453 ' O ' HG23 ' A' ' 120' ' ' THR . 0.5 OUTLIER -72.24 -43.22 64.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.382 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 116' ' ' LEU . 3.7 mm-40 -60.86 113.57 2.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.453 HG23 ' O ' ' A' ' 118' ' ' THR . 35.2 p -132.21 36.75 3.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.422 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.5 ptmt -175.62 150.2 1.14 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -62.3 166.5 12.87 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.313 3.342 . . . . 0.0 109.61 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 5.1 t -53.97 -33.34 56.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 110.407 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' HEC . . . . . 0.668 ' CMA' ' CZ ' ' A' ' 92' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 82' ' ' PHE . 2.1 t70 . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.416 HG13 ' NH2' ' A' ' 76' ' ' ARG . 53.6 t -75.91 -54.9 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 48.6 m -57.6 -30.42 65.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.378 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.502 ' HB3' ' CG1' ' A' ' 85' ' ' ILE . 0.6 OUTLIER -78.07 -47.41 18.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.506 ' O ' HG23 ' A' ' 9' ' ' VAL . . . -57.01 -48.22 79.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -64.17 -34.96 79.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 110.328 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.8 tptp -63.93 -49.37 72.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.347 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.642 HD21 HG23 ' A' ' 85' ' ' ILE . 10.6 mt -52.31 -50.11 62.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.507 HG21 HD21 ' A' ' 117' ' ' LEU . 59.5 t -55.88 -56.51 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -63.88 -10.35 20.25 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.862 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.421 ' HG3' HD12 ' A' ' 15' ' ' ILE . 23.1 tptt -95.33 -73.81 0.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.755 ' CB ' ' HB2' ' A' ' 110' ' ' ALA . 73.9 m-85 -48.45 -23.72 1.04 Allowed 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.979 -1.009 . . . . 0.0 109.785 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.456 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 54.7 m -77.31 -53.05 8.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.108 . . . . 0.0 110.363 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.409 ' O ' ' N ' ' A' ' 18' ' ' SER . 2.3 t30 -56.58 -56.01 26.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.421 HD12 ' HG3' ' A' ' 11' ' ' LYS . 3.7 mt -47.59 -50.11 9.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.2 -46.97 87.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.27 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.463 ' ND1' ' O ' ' A' ' 23' ' ' TYR . 71.0 t60 -62.7 -31.5 72.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.656 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 14' ' ' ASN . 42.4 t -71.64 -18.47 62.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 110.055 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -100.53 -24.53 14.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.409 ' O ' ' HA ' ' A' ' 17' ' ' HIS . 0.7 OUTLIER -146.65 114.51 4.4 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -78.78 42.92 1.35 Allowed 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 124.291 3.328 . . . . 0.0 109.585 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 4.3 ptt? -145.45 34.33 1.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 111.027 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.463 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 63.3 t80 -153.67 111.4 3.53 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.001 -1.0 . . . . 0.0 109.818 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -91.64 -48.76 6.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.636 ' HB1' ' CD ' ' A' ' 26' ' ' PRO . . . -167.01 174.76 2.4 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.636 ' CD ' ' HB1' ' A' ' 25' ' ' ALA . 7.1 Cg_exo -74.8 -169.16 0.58 Allowed 'Trans proline' 0 N--CA 1.448 -1.193 0 C-N-CA 124.286 3.324 . . . . 0.0 109.569 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.98 22.65 0.57 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.015 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.405 ' HB ' HG21 ' A' ' 118' ' ' THR . 37.8 pt 42.86 36.09 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.352 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.55 ' O ' HG22 ' A' ' 29' ' ' THR . 2.8 m -138.42 11.31 2.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.433 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.29 -33.34 5.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.596 ' O ' ' CD2' ' A' ' 115' ' ' TYR . . . -75.87 56.75 3.08 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.539 1.149 . . . . 0.0 110.96 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.77 -66.72 0.4 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 0.771 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 12.9 mt -63.34 -49.91 80.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.37 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.623 ' CE2' ' OE1' ' A' ' 108' ' ' GLU . 38.4 t80 -56.35 -20.31 18.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.525 ' CE2' ' HD3' ' A' ' 57' ' ' PRO . 86.6 t80 -109.14 5.91 24.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.944 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.41 ' OD1' ' O ' ' A' ' 35' ' ' PHE . 75.3 m-20 -140.21 23.23 2.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.25 105.1 15.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.315 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -57.64 93.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.566 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 24.5 p90 -98.17 163.59 12.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.4 tttm -107.89 142.56 37.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.459 HG23 ' O ' ' A' ' 45' ' ' LYS . 21.5 p -97.52 153.97 38.14 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.43 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.777 ' HG3' ' HA3' ' A' ' 101' ' ' GLY . 60.2 Cg_endo -64.22 -8.17 15.8 Favored 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.271 3.314 . . . . 0.0 109.621 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.8 p -103.17 34.31 2.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.967 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 40.17 79.2 0.05 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.509 1.13 . . . . 0.0 110.993 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.459 ' O ' HG23 ' A' ' 41' ' ' THR . 7.7 tttm 178.44 105.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.771 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.76 152.63 35.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.42 1.075 . . . . 0.0 110.309 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -164.23 178.98 7.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.566 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -158.03 155.26 29.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.53 ' O ' ' HB2' ' A' ' 53' ' ' HIS . 60.8 m -68.91 -10.35 56.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 108.28 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.458 ' HB1' ' HA ' ' A' ' 55' ' ' ASN . . . -106.61 8.72 31.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.2 p -75.79 -37.26 59.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.005 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 28.6 m -113.13 -42.54 3.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 108.303 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.53 ' HB2' ' O ' ' A' ' 49' ' ' CYS . 66.6 m-70 -84.56 12.52 6.88 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.745 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.519 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 41.1 p 50.36 171.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.374 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.458 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 5.4 p30 -52.32 -21.56 3.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -136.31 126.83 16.48 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.332 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.525 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 63.4 Cg_endo -70.29 -44.23 1.82 Allowed 'Trans proline' 0 N--CA 1.447 -1.255 0 C-N-CA 124.35 3.367 . . . . 0.0 109.59 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.485 ' HA ' ' HB2' ' A' ' 74' ' ' ALA . . . -53.75 -18.8 3.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.271 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -87.11 175.7 7.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 109.338 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 77.5 t -75.92 127.85 37.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -100.64 -174.45 29.57 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.476 1.11 . . . . 0.0 110.962 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -163.25 135.7 5.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.758 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.827 ' ND2' HD11 ' A' ' 70' ' ' ILE . 90.1 m-20 -83.9 129.97 34.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 6.8 pt -84.35 6.21 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 60.5 t -87.6 -55.61 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 50.0 p -106.39 -33.78 7.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.396 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 81.88 36.07 19.93 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.469 1.106 . . . . 0.0 110.982 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.1 mmtt -81.98 -95.78 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 0.758 . . . . 0.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -178.85 123.92 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 110.294 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.827 HD11 ' ND2' ' A' ' 63' ' ' ASN . 2.7 mm -113.86 101.49 53.92 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.42 ' HB3' ' HD2' ' A' ' 72' ' ' PRO . 83.2 Cg_exo -49.83 167.38 0.2 Allowed 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.337 3.358 . . . . 0.0 109.583 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.42 ' HD2' ' HB3' ' A' ' 71' ' ' PRO . 68.7 Cg_exo -37.58 135.31 0.49 Allowed 'Trans proline' 0 N--CA 1.447 -1.246 0 C-N-CA 124.275 3.317 . . . . 0.0 109.62 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.534 HD11 HBA2 ' A' ' 125' ' ' HEC . 11.6 tp -91.61 -21.62 20.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.656 ' HB3' ' HB ' ' A' ' 77' ' ' VAL . . . -36.8 98.5 0.16 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.923 ' HD3' HD12 ' A' ' 116' ' ' LEU . 34.3 Cg_exo -61.27 -11.81 20.82 Favored 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.273 3.315 . . . . 0.0 109.621 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.416 ' NH2' HG13 ' A' ' 2' ' ' VAL . 7.0 ttm180 -101.07 -47.96 4.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.656 ' HB ' ' HB3' ' A' ' 74' ' ' ALA . 37.4 t -49.14 -42.45 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.543 ' OD1' HG12 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -107.54 115.75 30.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.125 . . . . 0.0 109.333 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.17 -10.7 24.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 110.407 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.4 mtpt -101.08 35.93 2.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.262 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.604 ' O ' ' CD1' ' A' ' 82' ' ' PHE . 0.8 OUTLIER -147.01 43.06 1.14 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 110.343 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.642 ' CD1' ' HB3' ' A' ' 75' ' ' PRO . 0.3 OUTLIER 162.05 39.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 111.034 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.43 HG22 ' O ' ' A' ' 83' ' ' THR . 64.2 m -111.85 49.91 0.87 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.36 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 63.7 t0 177.45 71.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.642 HG23 HD21 ' A' ' 8' ' ' LEU . 20.7 mt -40.36 -45.29 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -49.47 -54.17 19.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -93.04 81.98 4.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER 178.65 -36.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.12 -37.72 53.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 110.269 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -75.32 -45.54 38.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -57.41 -35.06 69.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 0.0 110.304 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.697 ' CZ ' ' CMA' ' A' ' 125' ' ' HEC . 0.1 OUTLIER -66.5 -22.98 66.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 111.003 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.628 HG23 ' OD2' ' A' ' 103' ' ' ASP . 1.2 m -90.0 -38.11 13.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.37 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.6 mmmt -71.15 -30.36 66.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.517 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.4 t60 -68.22 -60.0 2.8 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 114.955 -1.021 . . . . 0.0 109.771 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 102' ' ' ALA . 10.7 m -55.21 -21.8 15.32 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.574 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -85.69 -11.39 53.86 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.435 ' O ' HD13 ' A' ' 99' ' ' ILE . 2.3 t0 -119.05 9.77 11.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.423 1.077 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.517 HG13 ' CE1' ' A' ' 95' ' ' HIS . 48.8 mm -126.53 -46.69 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.44 HD12 ' SG ' ' A' ' 104' ' ' CYS . 70.5 mt -101.95 -32.37 10.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.777 ' HA3' ' HG3' ' A' ' 42' ' ' PRO . . . 107.72 13.53 20.04 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.547 1.154 . . . . 0.0 110.966 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 96' ' ' CYS . . . -166.04 -173.17 2.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 0.762 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.628 ' OD2' HG23 ' A' ' 93' ' ' THR . 6.0 t0 -91.71 124.7 36.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.44 ' SG ' HD12 ' A' ' 100' ' ' LEU . 35.8 m -59.44 162.95 4.39 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.585 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.472 ' O ' ' HG3' ' A' ' 108' ' ' GLU . 80.8 p -74.51 149.92 86.62 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.991 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -65.92 -8.29 19.38 Favored 'Trans proline' 0 N--CA 1.448 -1.177 0 C-N-CA 124.262 3.308 . . . . 0.0 109.597 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 64.6 p -92.97 -44.26 8.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.022 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.623 ' OE1' ' CE2' ' A' ' 34' ' ' PHE . 1.0 OUTLIER -65.69 -27.12 68.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.752 ' O ' HD12 ' A' ' 113' ' ' ILE . 0.3 OUTLIER -63.69 -60.05 3.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.755 ' HB2' ' CB ' ' A' ' 12' ' ' TYR . . . -55.72 -36.57 67.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' A' ' 114' ' ' ALA . 7.1 t-20 -56.82 -68.52 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.549 ' CE2' ' HG ' ' A' ' 116' ' ' LEU . 52.2 t80 -44.16 -44.75 7.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.896 ' O ' HD23 ' A' ' 117' ' ' LEU . 1.6 mt -55.41 -37.25 44.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.256 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 117' ' ' LEU . . . -65.47 -74.26 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.596 ' CD2' ' O ' ' A' ' 31' ' ' GLY . 0.2 OUTLIER -40.72 -44.64 2.24 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.841 -179.89 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.923 HD12 ' HD3' ' A' ' 75' ' ' PRO . 3.5 mm? -61.4 -44.97 96.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.896 HD23 ' O ' ' A' ' 113' ' ' ILE . 1.0 OUTLIER -91.78 33.59 1.03 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.405 HG21 ' HB ' ' A' ' 28' ' ' ILE . 1.4 m -136.62 -67.7 0.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.404 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -80.86 62.71 4.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 110.311 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 68.3 p -84.0 67.06 9.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 110.45 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.21 131.52 0.81 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.098 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -44.98 170.23 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.347 3.365 . . . . 0.0 109.568 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 3.3 m -95.37 -56.74 2.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.409 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 15.7 mtmt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.143 . . . . 0.0 109.31 -179.985 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 125' ' ' HEC . . . . . 0.697 ' CMA' ' CZ ' ' A' ' 92' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.472 ' CG ' ' N ' ' A' ' 2' ' ' VAL . 8.2 p-10 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.472 ' N ' ' CG ' ' A' ' 1' ' ' ASP . 65.8 t -44.23 -34.17 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.2 m -42.58 -32.74 0.6 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.413 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.478 ' HB3' ' CG1' ' A' ' 85' ' ' ILE . 0.3 OUTLIER -80.14 -48.95 12.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.556 ' O ' HG23 ' A' ' 9' ' ' VAL . . . -48.92 -49.32 40.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 -66.52 -30.45 70.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.297 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.744 ' HE3' HG21 ' A' ' 85' ' ' ILE . 0.1 OUTLIER -70.36 -46.36 64.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.445 HD22 ' CE2' ' A' ' 12' ' ' TYR . 12.3 mt -55.88 -46.7 78.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 5' ' ' ALA . 91.5 t -56.94 -55.62 19.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -67.52 -6.09 18.16 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.855 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.404 ' CG ' ' HD3' ' A' ' 7' ' ' LYS . 1.3 mmtm -97.13 -73.67 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.733 ' HB3' ' HB2' ' A' ' 110' ' ' ALA . 84.2 m-85 -50.81 -21.72 1.81 Allowed 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.823 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.461 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 22.0 m -75.56 -47.09 28.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.388 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -61.22 -52.5 64.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.7 mt -52.64 -44.24 45.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.248 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.29 -38.53 87.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 0.0 109.306 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.46 ' ND1' ' O ' ' A' ' 23' ' ' TYR . 12.2 t60 -74.67 -29.65 61.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.14 . . . . 0.0 109.561 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 45.3 t -70.21 -6.32 33.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.999 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -114.86 -43.18 3.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.402 ' OD1' ' HD2' ' A' ' 21' ' ' PRO . 62.2 t-20 -126.65 118.95 22.78 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.402 ' HD2' ' OD1' ' A' ' 20' ' ' ASN . 98.1 Cg_endo -78.87 38.81 0.74 Allowed 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.273 3.315 . . . . 0.0 109.62 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -141.26 34.22 1.7 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 111.002 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.46 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 14.2 t80 -139.61 108.62 6.02 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.811 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -96.61 -48.02 5.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -164.13 153.77 12.34 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -51.33 176.14 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.363 3.375 . . . . 0.0 109.621 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.1 20.58 2.1 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 0.0 110.046 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 32.5 pt 40.8 47.65 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.243 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 30' ' ' ASP . 93.5 m -127.51 -70.39 0.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 110.414 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.466 ' HB2' ' ND2' ' A' ' 111' ' ' ASN . 0.3 OUTLIER -39.9 -33.29 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.583 ' O ' ' CD2' ' A' ' 115' ' ' TYR . . . -76.17 58.55 3.19 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.544 1.153 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.444 ' HG2' ' CZ ' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -157.69 -63.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 0.78 . . . . 0.0 109.348 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 43.7 mt -72.32 -47.78 51.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.595 ' CD1' ' OE1' ' A' ' 108' ' ' GLU . 25.3 t80 -55.34 -21.77 16.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 111.007 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.579 ' CD1' ' HB2' ' A' ' 49' ' ' CYS . 87.8 t80 -106.9 8.94 30.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 111.036 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -145.86 26.73 1.23 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 39' ' ' PHE . 2.6 tpm_? -108.03 97.47 7.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.277 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -49.31 94.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.572 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 24.7 p90 -100.79 164.17 11.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -104.97 148.79 26.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 23.6 p -106.44 153.18 40.66 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.353 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.822 ' HG3' ' HA3' ' A' ' 101' ' ' GLY . 95.9 Cg_endo -69.89 -4.08 13.4 Favored 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.298 3.332 . . . . 0.0 109.563 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.492 ' OG ' ' CE ' ' A' ' 45' ' ' LYS . 23.6 p -87.46 -11.37 49.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.972 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.456 ' O ' ' CD ' ' A' ' 45' ' ' LYS . . . 91.35 67.95 1.16 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.471 1.107 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.492 ' CE ' ' OG ' ' A' ' 43' ' ' SER . 0.0 OUTLIER 172.41 146.19 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 0.723 . . . . 0.0 109.266 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.7 154.27 19.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.346 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -158.44 -169.23 2.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.577 ' O ' HMC3 ' A' ' 125' ' ' HEC . . . -169.71 154.13 5.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.254 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.579 ' HB2' ' CD1' ' A' ' 35' ' ' PHE . 29.8 m -70.56 -9.0 55.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 108.317 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.444 ' O ' ' HA ' ' A' ' 54' ' ' THR . . . -105.03 2.76 29.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.414 ' HB2' ' O ' ' A' ' 48' ' ' ALA . 0.3 OUTLIER -82.33 -17.39 45.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.005 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 64.8 m -124.97 -46.07 1.85 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 108.325 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.498 ' O ' ' OG1' ' A' ' 54' ' ' THR . 66.6 m-70 -91.96 17.23 9.57 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.034 -0.985 . . . . 0.0 109.741 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.498 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 45.2 p 49.75 172.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.411 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -53.59 -23.96 12.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.346 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 19.1 t30 -131.6 123.96 19.69 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.359 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.66 ' CB ' HD23 ' A' ' 73' ' ' LEU . 57.7 Cg_endo -69.66 -36.86 10.27 Favored 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.341 3.361 . . . . 0.0 109.603 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.586 ' HA ' ' HB2' ' A' ' 74' ' ' ALA . . . -61.57 -13.15 19.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -93.11 174.34 7.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.7 t -75.43 121.81 27.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.352 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.494 ' HA2' HG23 ' A' ' 54' ' ' THR . . . -91.69 -174.63 42.92 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.2 ttmt -160.35 133.42 6.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 0.764 . . . . 0.0 109.306 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.963 ' ND2' HD11 ' A' ' 70' ' ' ILE . 83.2 m-20 -85.86 129.99 34.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 6.6 pt -83.93 5.91 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 0.0 109.27 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 79.4 t -86.22 -55.02 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 71.9 p -109.09 -34.98 6.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.571 1.17 . . . . 0.0 110.389 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 82.05 35.86 20.03 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.5 mmtm -81.65 -93.99 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 0.769 . . . . 0.0 109.306 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -178.51 122.46 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 110.284 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.963 HD11 ' ND2' ' A' ' 63' ' ' ASN . 3.0 mm -107.18 106.85 59.43 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.404 ' HB3' ' HD2' ' A' ' 72' ' ' PRO . 71.0 Cg_exo -50.31 165.84 0.34 Allowed 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 124.323 3.349 . . . . 0.0 109.605 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.446 ' O ' ' ND2' ' A' ' 78' ' ' ASN . 1.6 Cg_endo -42.68 125.56 3.85 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.328 3.352 . . . . 0.0 109.576 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.66 HD23 ' CB ' ' A' ' 57' ' ' PRO . 8.5 tp -76.96 -29.84 55.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.667 ' HB3' ' HB ' ' A' ' 77' ' ' VAL . . . -39.12 99.6 0.2 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.613 ' HB3' ' CD1' ' A' ' 82' ' ' PHE . 24.8 Cg_exo -63.12 -14.72 43.45 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.289 3.326 . . . . 0.0 109.573 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -97.76 -44.79 6.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 110.292 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.667 ' HB ' ' HB3' ' A' ' 74' ' ' ALA . 24.2 t -53.73 -41.3 46.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 72' ' ' PRO . 0.4 OUTLIER -95.07 136.54 35.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.6 p -84.06 -5.97 59.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.362 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.09 40.52 1.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.487 ' CB ' ' HA ' ' A' ' 75' ' ' PRO . 48.2 mmt-85 -142.57 168.2 20.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.263 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.613 ' CD1' ' HB3' ' A' ' 75' ' ' PRO . 2.9 m-30 37.88 53.77 1.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.988 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 90.8 m -100.89 -60.89 1.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.395 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -86.86 106.62 17.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.744 HG21 ' HE3' ' A' ' 7' ' ' LYS . 8.6 mt -64.94 -56.09 17.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -40.04 -48.15 2.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.1 mttp -94.18 78.78 4.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER 175.68 -34.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 90' ' ' ASP . 0.2 OUTLIER -66.15 -29.76 70.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.401 ' N ' ' HG3' ' A' ' 89' ' ' GLU . 4.1 m-20 -93.95 -44.75 7.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.44 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 3.5 mm-40 -52.93 -19.83 2.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.09 . . . . 0.0 110.323 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.655 ' CZ ' ' CMA' ' A' ' 125' ' ' HEC . 0.1 OUTLIER -84.15 -26.29 28.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.949 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.611 HG23 ' CG ' ' A' ' 103' ' ' ASP . 1.1 m -88.9 -37.17 15.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 0.0 110.429 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.77 -28.61 66.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.566 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.4 t60 -67.64 -59.09 3.62 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 115.01 -0.996 . . . . 0.0 109.786 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.417 ' C ' ' O ' ' A' ' 102' ' ' ALA . 4.0 m -56.77 -23.89 46.28 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.558 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.431 ' HA ' ' N ' ' A' ' 102' ' ' ALA . 1.9 m-80 -81.16 -13.0 59.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -117.38 4.81 12.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.566 HG13 ' CE1' ' A' ' 95' ' ' HIS . 37.3 mm -121.11 -48.2 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.6 HD12 ' SG ' ' A' ' 104' ' ' CYS . 42.4 mt -101.03 -25.83 13.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 0.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.822 ' HA3' ' HG3' ' A' ' 42' ' ' PRO . . . 100.66 12.05 39.05 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.507 1.13 . . . . 0.0 110.987 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.431 ' N ' ' HA ' ' A' ' 97' ' ' ASN . . . -163.9 -171.25 2.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 0.774 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.611 ' CG ' HG23 ' A' ' 93' ' ' THR . 13.9 t0 -93.42 124.18 37.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.6 ' SG ' HD12 ' A' ' 100' ' ' LEU . 55.6 m -63.35 161.61 13.75 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.57 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.501 ' OG ' ' CG ' ' A' ' 108' ' ' GLU . 60.3 p -75.45 145.8 79.95 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 110.0 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -61.35 -12.29 23.22 Favored 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.283 3.322 . . . . 0.0 109.583 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 59.6 p -90.53 -45.19 9.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.042 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.595 ' OE1' ' CD1' ' A' ' 34' ' ' PHE . 3.4 mm-40 -62.29 -16.94 57.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.312 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.454 ' C ' ' N ' ' A' ' 111' ' ' ASN . 3.6 mttp -91.97 -64.19 1.14 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.265 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.733 ' HB2' ' HB3' ' A' ' 12' ' ' TYR . . . -42.53 -27.22 0.15 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.466 ' ND2' ' HB2' ' A' ' 30' ' ' ASP . 6.6 t-20 -81.07 -59.17 2.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.706 ' CE2' HD22 ' A' ' 116' ' ' LEU . 86.2 t80 -41.13 -46.78 3.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.532 HG22 HG22 ' A' ' 9' ' ' VAL . 2.0 mt -56.85 -46.61 83.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 111' ' ' ASN . . . -51.63 -68.17 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.583 ' CD2' ' O ' ' A' ' 31' ' ' GLY . 0.4 OUTLIER -47.38 -27.75 1.78 Allowed 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.852 -179.921 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.706 HD22 ' CE2' ' A' ' 112' ' ' PHE . 1.2 tp -77.28 -40.03 45.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.523 ' CD2' ' HB1' ' A' ' 5' ' ' ALA . 7.2 mt -66.54 -37.45 85.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -76.25 -60.46 2.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.39 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.469 ' O ' ' CG ' ' A' ' 119' ' ' GLU . 4.7 pt-20 -66.74 118.95 11.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 110.253 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 73.0 p -149.93 35.4 0.68 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.4 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 2.6 mtpm? -134.85 142.55 42.7 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.339 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -80.3 167.39 19.52 Favored 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.353 3.368 . . . . 0.0 109.572 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' THR . . . . . 0.683 ' O ' HG22 ' A' ' 123' ' ' THR . 5.1 m -153.26 44.95 0.64 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.378 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' HEC . . . . . 0.683 HBB3 HMB1 ' A' ' 125' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.725 ' C ' HG23 ' A' ' 2' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.725 HG23 ' C ' ' A' ' 1' ' ' ASP . 3.4 t 87.04 -39.82 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.0 m -41.56 -39.49 1.6 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 110.422 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.587 ' HB3' HD11 ' A' ' 85' ' ' ILE . 0.1 OUTLIER -81.69 -49.62 10.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.313 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.539 ' O ' HG23 ' A' ' 9' ' ' VAL . . . -48.13 -46.83 34.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.4 ' OE2' ' O ' ' A' ' 6' ' ' GLU . 7.4 tp10 -53.6 -44.36 69.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.269 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.575 ' HE3' HG21 ' A' ' 85' ' ' ILE . 0.1 OUTLIER -57.26 -56.32 23.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.3 mt -45.68 -47.25 15.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.802 HG21 HD21 ' A' ' 117' ' ' LEU . 58.1 t -58.5 -51.56 70.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -71.89 -2.18 16.98 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.84 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.7 tptt -101.28 -73.23 0.65 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.781 ' HB2' ' HB2' ' A' ' 110' ' ' ALA . 82.2 m-85 -50.64 -22.15 1.91 Allowed 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 114.961 -1.018 . . . . 0.0 109.845 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.504 ' CG2' ' O ' ' A' ' 24' ' ' GLU . 27.9 m -76.3 -47.04 25.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.426 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -60.59 -53.34 58.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.9 mt -50.39 -50.67 20.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.21 -53.42 56.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.266 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -58.91 -32.65 69.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.566 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 36.0 t -72.31 -12.77 61.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 110.009 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -108.14 -39.88 5.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.25 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 42.7 m-20 -135.66 94.66 14.81 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.327 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -50.43 -20.59 6.19 Favored 'Trans proline' 0 N--CA 1.447 -1.214 0 C-N-CA 124.349 3.366 . . . . 0.0 109.567 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.42 ' HG3' ' N ' ' A' ' 23' ' ' TYR . 8.0 ptm -70.34 -24.74 63.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.094 . . . . 0.0 111.027 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.42 ' N ' ' HG3' ' A' ' 22' ' ' MET . 46.4 t80 -95.8 123.57 39.44 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.811 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.504 ' O ' ' CG2' ' A' ' 13' ' ' THR . 2.9 mm-40 -116.01 -42.83 3.03 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 110.284 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.628 ' HB1' ' CD ' ' A' ' 26' ' ' PRO . . . -161.67 174.48 3.72 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.628 ' CD ' ' HB1' ' A' ' 25' ' ' ALA . 6.7 Cg_exo -75.3 -179.81 5.41 Favored 'Trans proline' 0 N--CA 1.447 -1.257 0 C-N-CA 124.33 3.353 . . . . 0.0 109.631 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.4 13.41 2.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.006 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.41 HG21 HG21 ' A' ' 118' ' ' THR . 32.0 pt 41.98 50.32 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.35 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.7 ' O ' HG22 ' A' ' 29' ' ' THR . 3.9 m -162.56 37.44 0.11 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 110.379 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -143.26 -49.27 0.32 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.474 ' O ' ' N ' ' A' ' 35' ' ' PHE . . . -42.64 -49.29 5.94 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.449 1.093 . . . . 0.0 111.016 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.39 -72.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 0.754 . . . . 0.0 109.321 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.9 mt -50.01 -44.09 21.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -64.91 -14.18 59.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 111.018 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.544 ' CD1' ' CB ' ' A' ' 49' ' ' CYS . 76.9 t80 -110.92 6.75 21.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.961 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -140.28 23.04 2.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -95.77 103.48 15.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -58.04 87.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.569 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 19.1 p90 -100.51 154.77 18.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.148 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.9 tttm -104.52 139.74 38.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 109.315 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.402 ' HB ' ' HD2' ' A' ' 42' ' ' PRO . 58.6 p -82.37 153.66 68.7 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.406 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.814 ' HG3' ' HA3' ' A' ' 101' ' ' GLY . 60.3 Cg_endo -64.27 -7.6 14.36 Favored 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 124.268 3.312 . . . . 0.0 109.637 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.0 p -101.78 29.66 4.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.026 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.405 ' O ' ' HB2' ' A' ' 45' ' ' LYS . . . 51.45 77.82 0.12 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 44' ' ' GLY . 13.3 ttpp -176.6 134.81 0.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 0.751 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.471 ' CD ' ' N ' ' A' ' 47' ' ' ALA . 4.4 tm-20 -87.96 135.7 33.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.43 1.081 . . . . 0.0 110.27 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.471 ' N ' ' CD ' ' A' ' 46' ' ' GLU . . . -151.75 176.35 11.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.569 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -162.02 152.91 17.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.544 ' CB ' ' CD1' ' A' ' 35' ' ' PHE . 49.2 m -63.6 -13.27 40.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.077 . . . . 0.0 108.277 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.423 ' HA ' ' O ' ' A' ' 54' ' ' THR . . . -102.08 5.94 40.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.41 ' OG ' ' CMC' ' A' ' 125' ' ' HEC . 80.6 p -79.39 -29.3 42.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.044 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 92.6 m -117.78 -48.32 2.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 108.287 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.936 ' CE1' HD22 ' A' ' 73' ' ' LEU . 85.7 m-70 -83.23 12.83 4.76 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.739 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.537 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 57.2 p 51.02 170.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.356 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -51.36 -25.44 6.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.244 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.4 ' ND2' ' O ' ' A' ' 121' ' ' LYS . 13.7 t30 -130.64 125.95 21.72 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.519 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 73.6 Cg_endo -71.2 -39.43 3.95 Favored 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.313 3.342 . . . . 0.0 109.575 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.74 ' HA ' ' HB2' ' A' ' 74' ' ' ALA . . . -58.71 -15.84 13.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -90.09 173.44 8.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 78.8 t -75.92 130.18 36.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.105 . . . . 0.0 109.341 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.404 ' HA2' HG23 ' A' ' 54' ' ' THR . . . -101.7 -174.48 28.2 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.532 1.145 . . . . 0.0 111.012 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.0 tttm -160.57 136.06 8.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 0.754 . . . . 0.0 109.299 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.903 ' ND2' HD11 ' A' ' 70' ' ' ILE . 87.5 m-20 -85.08 127.16 34.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.9 pt -82.82 5.58 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 74.6 t -86.29 -52.94 11.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 75.4 p -109.76 -33.69 6.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.391 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 81.21 35.88 22.57 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.538 1.149 . . . . 0.0 111.018 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 45.6 mttt -82.28 -94.87 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 0.782 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -179.07 124.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 110.299 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.903 HD11 ' ND2' ' A' ' 63' ' ' ASN . 2.8 mm -110.05 102.92 52.41 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.446 ' HB3' ' HD2' ' A' ' 72' ' ' PRO . 76.8 Cg_exo -52.67 167.36 0.62 Allowed 'Trans proline' 0 N--CA 1.447 -1.264 0 C-N-CA 124.294 3.329 . . . . 0.0 109.62 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.446 ' HD2' ' HB3' ' A' ' 71' ' ' PRO . 1.2 Cg_endo -42.47 128.16 4.58 Favored 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.298 3.332 . . . . 0.0 109.601 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.936 HD22 ' CE1' ' A' ' 53' ' ' HIS . 5.8 tp -98.7 -22.94 15.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.74 ' HB2' ' HA ' ' A' ' 58' ' ' ALA . . . -36.91 98.59 0.16 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.639 ' HG2' HD23 ' A' ' 116' ' ' LEU . 17.4 Cg_exo -66.48 55.7 0.43 Allowed 'Trans proline' 0 N--CA 1.447 -1.214 0 C-N-CA 124.294 3.329 . . . . 0.0 109.613 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 -170.14 -52.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 110.321 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 20.1 t -49.94 -40.11 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.474 ' N ' ' OD1' ' A' ' 78' ' ' ASN . 0.2 OUTLIER -99.88 144.83 28.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.283 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 20.3 p -86.55 2.25 48.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.414 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.3 mtmp? -112.86 41.85 1.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 62.2 mmt-85 -144.87 156.06 43.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.125 . . . . 0.0 110.23 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.616 ' CD1' ' HB3' ' A' ' 75' ' ' PRO . 0.9 OUTLIER 47.59 41.35 13.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 111.035 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.523 HG22 ' O ' ' A' ' 83' ' ' THR . 40.5 m -116.63 47.32 1.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 110.401 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -174.99 67.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.587 HD11 ' HB3' ' A' ' 4' ' ' ASN . 90.9 mt -41.08 -50.32 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 85' ' ' ILE . 8.7 m-20 -39.1 -57.57 1.27 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.47 95.73 6.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER 174.17 -34.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -68.3 -56.1 9.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.336 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -67.58 -45.31 75.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 4.4 mm-40 -52.49 -19.41 2.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.272 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.721 ' CZ ' ' CMA' ' A' ' 125' ' ' HEC . 0.1 OUTLIER -86.71 -26.25 24.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.446 HG23 ' CG ' ' A' ' 103' ' ' ASP . 1.0 OUTLIER -88.85 -37.42 15.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.406 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 39.6 mmtt -68.48 -32.05 71.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.58 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.2 t60 -66.25 -59.96 3.24 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.759 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.433 ' C ' ' O ' ' A' ' 102' ' ' ALA . 10.0 m -54.83 -23.53 18.77 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.556 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.454 ' HA ' ' N ' ' A' ' 102' ' ' ALA . 1.6 m-80 -80.84 -12.67 59.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -116.49 3.84 13.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.58 HG13 ' CE1' ' A' ' 95' ' ' HIS . 39.3 mm -119.18 -51.24 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.523 HD12 ' SG ' ' A' ' 104' ' ' CYS . 75.1 mt -99.38 -22.66 15.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.814 ' HA3' ' HG3' ' A' ' 42' ' ' PRO . . . 99.24 10.16 49.18 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.454 ' N ' ' HA ' ' A' ' 97' ' ' ASN . . . -164.33 -177.31 4.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 0.75 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.446 ' CG ' HG23 ' A' ' 93' ' ' THR . 21.7 t0 -86.01 127.09 34.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.082 . . . . 0.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.523 ' SG ' HD12 ' A' ' 100' ' ' LEU . 48.4 m -62.17 161.85 10.48 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.944 -1.026 . . . . 0.0 109.614 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 27.8 t -71.01 141.93 87.16 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.959 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -59.5 -19.31 51.35 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.289 3.326 . . . . 0.0 109.587 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 77.8 p -86.75 -38.68 16.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.984 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -71.81 -6.26 40.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.138 . . . . 0.0 110.302 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.572 ' HD2' ' CD1' ' A' ' 92' ' ' PHE . 0.8 OUTLIER -88.3 -63.58 1.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.17 . . . . 0.0 109.301 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.781 ' HB2' ' HB2' ' A' ' 12' ' ' TYR . . . -54.89 -27.09 40.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -67.53 -50.65 57.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.425 ' CE2' HD22 ' A' ' 116' ' ' LEU . 39.5 t80 -63.04 -45.61 91.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.533 HG22 HG22 ' A' ' 9' ' ' VAL . 2.0 mt -54.2 -41.54 52.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 117' ' ' LEU . . . -63.86 -65.2 0.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.431 ' O ' ' N ' ' A' ' 119' ' ' GLU . 0.9 OUTLIER -45.24 -37.7 4.88 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.81 -179.892 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.639 HD23 ' HG2' ' A' ' 75' ' ' PRO . 1.0 OUTLIER -71.87 -37.15 70.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.901 HD12 ' O ' ' A' ' 117' ' ' LEU . 0.9 OUTLIER -91.4 20.65 5.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.41 HG21 HG21 ' A' ' 28' ' ' ILE . 53.9 m -140.74 -68.39 0.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.387 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 115' ' ' TYR . 0.9 OUTLIER -103.4 84.24 2.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.15 . . . . 0.0 110.356 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.673 HG23 ' O ' ' A' ' 120' ' ' THR . 15.0 t -138.95 64.09 1.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.39 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.4 ' O ' ' ND2' ' A' ' 56' ' ' ASN . 5.6 mtpm? -125.0 149.67 64.06 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -74.39 166.54 29.23 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.349 3.366 . . . . 0.0 109.583 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 14.7 m -109.52 -60.86 1.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 110.429 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' HEC . . . . . 0.721 ' CMA' ' CZ ' ' A' ' 92' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.644 ' C ' HG23 ' A' ' 2' ' ' VAL . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.644 HG23 ' C ' ' A' ' 1' ' ' ASP . 6.0 t 86.41 -42.69 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 51.8 m -66.7 -13.66 61.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.376 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.555 ' HA ' HD11 ' A' ' 85' ' ' ILE . 0.1 OUTLIER -81.16 -49.55 10.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.714 ' HB1' HD22 ' A' ' 117' ' ' LEU . . . -53.55 -47.03 70.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -51.89 -54.31 30.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.304 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 11' ' ' LYS . 1.5 mmtm -51.22 -52.36 45.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.662 HD21 HG23 ' A' ' 85' ' ' ILE . 11.5 mt -47.42 -49.06 25.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.459 ' O ' ' CB ' ' A' ' 13' ' ' THR . 93.4 t -62.93 -50.98 77.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -64.26 -11.5 32.12 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 114.942 -1.026 . . . . 0.0 109.817 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 7' ' ' LYS . 0.5 OUTLIER -98.4 -73.33 0.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.729 ' CB ' ' HB2' ' A' ' 110' ' ' ALA . 51.4 m-85 -45.76 -24.24 0.35 Allowed 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.825 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.459 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 56.0 m -78.6 -52.02 9.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.357 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -57.91 -54.8 42.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 109.302 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.8 mt -48.09 -49.33 11.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.457 ' O ' ' ND2' ' A' ' 20' ' ' ASN . . . -60.19 -50.4 73.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.459 ' ND1' ' O ' ' A' ' 23' ' ' TYR . 66.8 t60 -58.37 -29.21 65.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.552 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.8 t -71.5 -23.21 61.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 1.166 . . . . 0.0 110.016 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -89.39 -26.59 20.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 16' ' ' ALA . 0.2 OUTLIER -153.41 126.39 4.11 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -82.98 43.79 1.55 Allowed 'Trans proline' 0 N--CA 1.447 -1.209 0 C-N-CA 124.321 3.347 . . . . 0.0 109.627 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.437 ' CG ' ' OD1' ' A' ' 20' ' ' ASN . 3.0 ptt? -144.35 34.53 1.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 111.008 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.459 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 74.1 t80 -154.82 109.29 2.98 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.858 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.423 ' O ' ' CG2' ' A' ' 13' ' ' THR . 3.0 mm-40 -91.17 -48.99 6.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.32 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.643 ' HB1' ' CD ' ' A' ' 26' ' ' PRO . . . -165.79 175.29 2.43 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.643 ' CD ' ' HB1' ' A' ' 25' ' ' ALA . 11.7 Cg_exo -72.83 -172.28 0.93 Allowed 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 124.307 3.338 . . . . 0.0 109.593 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.495 ' O ' ' CG1' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -146.6 18.51 1.32 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.434 1.084 . . . . 0.0 110.009 -179.916 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.495 ' CG1' ' O ' ' A' ' 27' ' ' SER . 47.4 pt 48.1 32.52 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 67.6 m -136.04 9.74 3.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.402 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -114.66 -35.01 5.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.9 53.54 3.73 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.5 1.125 . . . . 0.0 111.043 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.448 ' HG2' ' CZ ' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -134.65 -65.58 0.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 0.733 . . . . 0.0 109.322 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.405 ' O ' ' N ' ' A' ' 37' ' ' ARG . 60.1 mt -67.81 -44.36 85.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -54.4 -22.62 12.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.994 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.577 ' CD1' ' CB ' ' A' ' 49' ' ' CYS . 88.1 t80 -108.02 6.15 26.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.414 ' OD1' ' O ' ' A' ' 35' ' ' PHE . 83.5 m-20 -142.35 25.28 1.89 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 39' ' ' PHE . 15.5 ttp85 -103.83 94.46 5.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.342 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.413 ' CG ' ' HG2' ' A' ' 46' ' ' GLU . 21.2 ttmm -47.82 94.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.555 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 32.1 p90 -103.38 160.78 14.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.13 133.68 51.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.345 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.415 ' HB ' ' HD2' ' A' ' 42' ' ' PRO . 46.9 p -78.58 153.92 78.67 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 110.365 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.864 ' HG3' ' HA3' ' A' ' 101' ' ' GLY . 73.2 Cg_endo -66.28 -5.21 12.03 Favored 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 124.327 3.351 . . . . 0.0 109.576 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.8 p -101.21 12.66 37.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.996 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.87 77.03 0.42 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.0 tttm -176.19 135.78 0.27 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 0.755 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.413 ' HG2' ' CG ' ' A' ' 38' ' ' LYS . 3.5 tt0 -90.59 125.14 35.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 110.345 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.78 177.88 7.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.555 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -159.85 152.03 20.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.577 ' CB ' ' CD1' ' A' ' 35' ' ' PHE . 55.9 m -64.38 -11.98 38.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 108.258 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.44 ' HA ' ' O ' ' A' ' 54' ' ' THR . . . -104.39 7.45 35.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.472 ' OG ' ' CMC' ' A' ' 125' ' ' HEC . 95.5 p -78.19 -31.43 49.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.003 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 64.1 m -116.91 -45.34 2.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 108.347 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.526 ' O ' ' OG1' ' A' ' 54' ' ' THR . 72.7 m-70 -84.71 13.46 5.73 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 114.955 -1.021 . . . . 0.0 109.75 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.526 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 60.7 p 50.71 170.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 110.383 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.431 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 9.4 p30 -53.32 -24.58 12.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.254 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 14.0 t30 -130.7 124.23 20.72 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.431 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 58.4 Cg_endo -70.38 -37.94 7.06 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.327 3.351 . . . . 0.0 109.551 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.474 ' HA ' ' HB2' ' A' ' 74' ' ' ALA . . . -60.84 -14.11 19.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -91.04 173.08 8.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 109.359 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.617 HG22 ' HD3' ' A' ' 72' ' ' PRO . 53.4 t -76.6 123.58 33.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.45 ' HA2' HG23 ' A' ' 54' ' ' THR . . . -95.01 -175.94 37.93 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.495 1.122 . . . . 0.0 111.026 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.4 tttm -159.94 134.62 7.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 0.755 . . . . 0.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.907 ' ND2' HD11 ' A' ' 70' ' ' ILE . 87.5 m-20 -84.32 130.84 34.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.346 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 6.4 pt -85.97 8.69 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.335 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 53.8 t -90.75 -53.68 8.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 75.2 p -108.9 -34.25 6.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.394 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 81.94 33.83 25.86 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.503 1.127 . . . . 0.0 110.968 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.409 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 1.5 mmmt -79.13 -94.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.416 ' O ' ' HD3' ' A' ' 71' ' ' PRO . 9.6 pt-20 -179.59 124.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.259 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.907 HD11 ' ND2' ' A' ' 63' ' ' ASN . 2.5 mm -113.58 94.63 33.19 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.416 ' HD3' ' O ' ' A' ' 69' ' ' GLU . 81.2 Cg_exo -47.4 166.16 0.1 Allowed 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.337 3.358 . . . . 0.0 109.584 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.617 ' HD3' HG22 ' A' ' 60' ' ' VAL . 70.5 Cg_exo -37.51 135.4 0.47 Allowed 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.338 3.359 . . . . 0.0 109.545 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 75' ' ' PRO . 5.0 tp -97.32 -24.87 15.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.341 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.474 ' HB2' ' HA ' ' A' ' 58' ' ' ALA . . . -38.45 98.85 0.18 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.628 ' HB3' ' CD1' ' A' ' 82' ' ' PHE . 19.1 Cg_exo -65.78 55.01 0.34 Allowed 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.3 3.333 . . . . 0.0 109.611 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.532 ' CZ ' HG13 ' A' ' 2' ' ' VAL . 10.1 ttm180 -166.25 -52.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.426 HG22 ' HB ' ' A' ' 120' ' ' THR . 9.0 t -45.38 -41.98 3.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.471 ' N ' ' OD1' ' A' ' 78' ' ' ASN . 0.3 OUTLIER -96.17 153.69 17.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.6 p -82.61 -41.25 19.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.406 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.4 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 0.0 OUTLIER -81.36 51.28 1.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.4 ' HG2' ' O ' ' A' ' 80' ' ' LYS . 53.5 mmt-85 -147.6 135.77 21.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.326 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.628 ' CD1' ' HB3' ' A' ' 75' ' ' PRO . 0.5 OUTLIER 58.6 59.28 2.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 111.018 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 59.0 m -103.76 -61.53 1.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.375 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -87.6 111.8 21.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.662 HG23 HD21 ' A' ' 8' ' ' LEU . 81.3 mt -68.45 -46.82 79.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 85' ' ' ILE . 22.9 t70 -40.27 -59.93 1.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -88.55 83.49 6.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER 175.92 -33.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.25 -53.23 20.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.357 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -66.19 -46.22 78.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 3.6 mm-40 -55.65 -18.21 7.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.316 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.71 ' CZ ' ' CMA' ' A' ' 125' ' ' HEC . 0.1 OUTLIER -84.35 -30.47 25.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 111.0 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.413 HG23 ' CG ' ' A' ' 103' ' ' ASP . 1.1 m -85.7 -35.51 20.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.424 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.7 mmtm -69.14 -30.07 68.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.557 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.4 t60 -67.11 -59.43 3.46 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 115.079 -0.964 . . . . 0.0 109.755 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.438 ' C ' ' O ' ' A' ' 102' ' ' ALA . 16.1 m -54.91 -25.81 31.74 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.559 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.437 ' HA ' ' N ' ' A' ' 102' ' ' ALA . 1.8 m-20 -79.85 -12.73 59.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -116.53 2.61 13.09 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.475 1.11 . . . . 0.0 109.313 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.557 HG13 ' CE1' ' A' ' 95' ' ' HIS . 14.5 mm -117.74 -51.66 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.424 1.078 . . . . 0.0 109.342 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.409 ' O ' ' HD3' ' A' ' 42' ' ' PRO . 70.3 mt -99.45 -20.12 16.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.864 ' HA3' ' HG3' ' A' ' 42' ' ' PRO . . . 94.73 12.71 55.3 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.509 1.13 . . . . 0.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 96' ' ' CYS . . . -163.23 -175.54 4.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 0.736 . . . . 0.0 109.255 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.413 ' CG ' HG23 ' A' ' 93' ' ' THR . 29.4 t0 -89.33 127.03 35.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 44.5 m -62.73 160.63 13.93 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.563 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.471 ' HB3' ' CG ' ' A' ' 108' ' ' GLU . 27.6 t -68.84 142.87 94.09 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.056 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -60.32 -17.52 47.43 Favored 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.313 3.342 . . . . 0.0 109.604 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 61.5 p -91.24 -43.46 9.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.009 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.471 ' CG ' ' HB3' ' A' ' 105' ' ' SER . 11.7 mm-40 -59.54 -15.1 15.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.55 ' HD2' ' CG ' ' A' ' 92' ' ' PHE . 2.7 tppt? -82.87 -71.04 0.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.335 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.729 ' HB2' ' CB ' ' A' ' 12' ' ' TYR . . . -40.64 -29.49 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.455 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 4.6 t-20 -68.29 -66.51 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.892 ' CZ ' HD11 ' A' ' 116' ' ' LEU . 39.9 t80 -46.34 -45.28 17.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 111.052 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.709 ' O ' HD23 ' A' ' 117' ' ' LEU . 2.0 mt -54.77 -33.8 28.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.255 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 111' ' ' ASN . . . -71.69 -70.06 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.448 ' CZ ' ' HG2' ' A' ' 32' ' ' LYS . 0.2 OUTLIER -41.27 -29.36 0.13 Allowed 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.034 -0.984 . . . . 0.0 109.844 -179.893 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.892 HD11 ' CZ ' ' A' ' 112' ' ' PHE . 17.1 mt -77.69 -47.06 20.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.847 HD12 ' O ' ' A' ' 117' ' ' LEU . 1.0 OUTLIER -91.49 30.55 1.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 5.7 m -104.73 -54.97 2.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.407 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -131.89 124.65 29.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.531 HG21 ' HG2' ' A' ' 76' ' ' ARG . 20.7 p -104.61 48.96 0.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.357 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -131.33 148.71 71.21 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.279 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -78.82 166.99 22.87 Favored 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.286 3.324 . . . . 0.0 109.617 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 3.4 m -78.37 -60.34 2.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.43 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' HEC . . . . . 0.71 ' CMA' ' CZ ' ' A' ' 92' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.406 ' O ' ' ND2' ' A' ' 4' ' ' ASN . 1.1 t70 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 56.1 t -52.37 -24.41 5.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.358 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.5 m -49.53 -24.89 2.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.363 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.406 ' ND2' ' O ' ' A' ' 1' ' ' ASP . 0.3 OUTLIER -82.15 -47.92 11.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 1.04 ' HB1' HD21 ' A' ' 117' ' ' LEU . . . -56.76 -51.9 67.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 7' ' ' LYS . 12.4 pt-20 -52.32 -36.42 53.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.259 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 11' ' ' LYS . 3.9 tptt -63.96 -55.63 21.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.627 HD21 HG12 ' A' ' 85' ' ' ILE . 9.8 mt -48.02 -39.32 19.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.445 ' O ' ' CB ' ' A' ' 13' ' ' THR . 88.3 t -65.57 -53.18 42.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -73.06 -0.74 14.8 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.807 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 7' ' ' LYS . 1.8 tptp -103.12 -72.07 0.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.68 ' HB2' ' HB2' ' A' ' 110' ' ' ALA . 62.3 m-85 -51.75 -21.66 2.95 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 114.988 -1.006 . . . . 0.0 109.863 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.445 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 52.9 m -79.27 -53.86 6.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.401 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.423 ' O ' ' N ' ' A' ' 18' ' ' SER . 3.5 t30 -55.63 -54.79 39.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.8 mt -50.1 -49.53 21.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.34 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.25 -43.33 96.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.457 ' ND1' ' O ' ' A' ' 23' ' ' TYR . 70.0 t60 -66.98 -29.09 68.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.597 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 14' ' ' ASN . 46.7 t -72.87 -20.06 61.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 110.032 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -99.06 -28.94 13.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.4 ' O ' ' HA ' ' A' ' 17' ' ' HIS . 0.7 OUTLIER -141.18 113.78 6.86 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.158 . . . . 0.0 109.283 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -78.61 42.92 1.34 Allowed 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.299 3.332 . . . . 0.0 109.59 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 17.3 ptt? -146.69 34.15 0.94 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.457 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 69.5 t80 -151.81 114.19 4.55 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.833 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -95.29 -47.36 6.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.322 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.68 ' HB1' ' CD ' ' A' ' 26' ' ' PRO . . . -165.26 176.48 2.01 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.68 ' CD ' ' HB1' ' A' ' 25' ' ' ALA . 27.6 Cg_exo -67.19 164.54 29.9 Favored 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 124.335 3.356 . . . . 0.0 109.619 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.68 12.02 9.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.027 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 41.1 pt 44.09 49.74 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.714 ' O ' HG22 ' A' ' 29' ' ' THR . 3.4 m -162.29 38.72 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 110.435 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 33' ' ' ILE . 0.6 OUTLIER -148.22 -45.6 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -47.72 -24.53 2.94 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.496 1.122 . . . . 0.0 111.034 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.526 ' HB3' ' CZ ' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -72.85 -35.49 67.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 0.777 . . . . 0.0 109.284 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.481 HD11 ' HE3' ' A' ' 32' ' ' LYS . 13.2 mt -85.61 3.96 3.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.09 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.54 ' CG ' ' O ' ' A' ' 34' ' ' PHE . 60.7 t80 -124.42 30.0 6.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.95 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.587 ' CD1' ' HB2' ' A' ' 49' ' ' CYS . 42.4 t80 -145.25 -41.67 0.23 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.148 . . . . 0.0 111.006 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -100.42 6.85 44.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 -79.95 88.02 5.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 110.313 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.5 ttpp -48.37 101.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.455 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 35.7 p90 -108.76 162.13 14.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.79 134.96 51.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 12.8 p -85.4 153.45 58.98 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.386 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.859 ' HG3' ' HA3' ' A' ' 101' ' ' GLY . 59.5 Cg_endo -64.11 -9.04 17.97 Favored 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.296 3.33 . . . . 0.0 109.606 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.1 p -85.87 -6.87 59.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.969 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 84.49 67.07 1.44 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -171.83 138.9 1.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 0.737 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -89.16 123.23 33.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 110.273 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -133.83 -178.44 5.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.271 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.455 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -162.77 152.17 15.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.587 ' HB2' ' CD1' ' A' ' 35' ' ' PHE . 61.9 m -64.77 -13.54 55.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 108.327 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.439 ' HA ' ' O ' ' A' ' 54' ' ' THR . . . -101.37 4.19 41.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.474 ' OG ' ' CMC' ' A' ' 125' ' ' HEC . 90.6 p -75.18 -27.08 59.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 110.008 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 80.5 m -121.83 -47.16 2.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 108.291 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.521 ' O ' ' OG1' ' A' ' 54' ' ' THR . 90.3 m-70 -82.88 14.12 3.47 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.012 -0.994 . . . . 0.0 109.779 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.521 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 44.9 p 50.81 171.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.139 . . . . 0.0 110.387 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -54.01 -22.04 9.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -134.85 125.53 17.35 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.817 ' HG3' HD21 ' A' ' 116' ' ' LEU . 60.4 Cg_endo -70.72 -42.52 2.36 Favored 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.301 3.334 . . . . 0.0 109.603 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.642 ' HA ' ' HB2' ' A' ' 74' ' ' ALA . . . -55.64 -16.95 4.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -90.68 171.26 9.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 70.1 t -73.58 130.38 35.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.433 ' HA2' HG23 ' A' ' 54' ' ' THR . . . -100.78 -174.48 29.39 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.499 1.124 . . . . 0.0 111.013 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.1 tttt -159.61 134.77 8.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 0.755 . . . . 0.0 109.272 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.792 ' ND2' HD11 ' A' ' 70' ' ' ILE . 84.1 m-20 -85.28 128.32 34.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 7.3 pt -84.35 7.22 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.344 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 71.0 t -88.67 -54.44 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 62.5 p -109.17 -33.77 6.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.155 . . . . 0.0 110.442 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 80.97 34.71 26.36 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.467 1.105 . . . . 0.0 111.045 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.435 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 1.0 OUTLIER -77.72 -94.17 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 0.764 . . . . 0.0 109.328 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.435 ' HB3' ' O ' ' A' ' 68' ' ' LYS . 14.1 pt-20 179.25 120.57 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.322 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.792 HD11 ' ND2' ' A' ' 63' ' ' ASN . 2.7 mm -109.93 126.65 28.59 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.465 ' CB ' ' HD2' ' A' ' 72' ' ' PRO . 58.3 Cg_endo -71.0 170.25 18.52 Favored 'Trans proline' 0 N--CA 1.448 -1.184 0 C-N-CA 124.347 3.365 . . . . 0.0 109.578 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.696 ' HG2' HD21 ' A' ' 78' ' ' ASN . 13.0 Cg_endo -51.99 135.85 51.84 Favored 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.322 3.348 . . . . 0.0 109.599 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.803 ' O ' HD12 ' A' ' 73' ' ' LEU . 1.3 tp -91.4 -20.15 22.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.642 ' HB2' ' HA ' ' A' ' 58' ' ' ALA . . . -36.58 96.83 0.11 Allowed Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.563 ' HB3' ' CG ' ' A' ' 82' ' ' PHE . 15.5 Cg_exo -68.05 54.89 0.7 Allowed 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 124.353 3.368 . . . . 0.0 109.582 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.676 ' HB3' HG21 ' A' ' 120' ' ' THR . 2.1 ttt-85 -171.29 -50.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.297 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.66 HG12 ' OD1' ' A' ' 78' ' ' ASN . 33.6 t -45.93 -41.29 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.696 HD21 ' HG2' ' A' ' 72' ' ' PRO . 0.4 OUTLIER -111.63 157.54 20.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.348 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.3 t -94.95 3.75 54.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.408 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -104.96 28.33 7.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.441 ' NH2' ' HG2' ' A' ' 71' ' ' PRO . 23.3 mmt-85 -127.6 147.82 50.35 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 110.287 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.563 ' CG ' ' HB3' ' A' ' 75' ' ' PRO . 3.3 m-30 57.08 46.02 19.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 60.1 m -76.05 -64.46 1.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 110.429 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -83.54 97.21 8.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.627 HG12 HD21 ' A' ' 8' ' ' LEU . 5.4 tt -75.57 -2.43 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.249 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -94.39 -24.1 17.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 90' ' ' ASP . 15.7 mttt -101.04 -53.75 2.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -43.16 -28.33 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.443 ' CG ' ' OH ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -79.4 -44.85 20.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.267 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 87' ' ' LYS . 43.2 m-20 -67.15 -45.56 76.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.247 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -59.3 -46.84 87.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.784 ' CE1' HMA1 ' A' ' 125' ' ' HEC . 0.1 OUTLIER -47.73 -27.4 1.96 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 110.993 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.762 HG23 ' CG ' ' A' ' 103' ' ' ASP . 1.2 m -88.33 -49.0 7.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.375 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.44 -21.93 64.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.44 ' O ' ' N ' ' A' ' 99' ' ' ILE . 1.3 t60 -73.61 -58.13 3.52 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.749 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.421 ' C ' ' O ' ' A' ' 102' ' ' ALA . 15.1 m -58.43 -26.8 63.71 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.571 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -79.14 -13.55 59.66 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.64 5.19 10.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.44 ' N ' ' O ' ' A' ' 95' ' ' HIS . 5.5 mm -120.33 -46.55 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.433 ' O ' ' HD3' ' A' ' 42' ' ' PRO . 39.9 mt -104.14 -24.6 13.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.859 ' HA3' ' HG3' ' A' ' 42' ' ' PRO . . . 98.25 16.37 32.66 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.521 1.138 . . . . 0.0 110.987 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 96' ' ' CYS . . . -164.35 -176.55 4.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 0.788 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.762 ' CG ' HG23 ' A' ' 93' ' ' THR . 9.4 t0 -94.51 119.94 33.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 35.2 m -58.55 161.16 4.78 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.62 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.463 ' OG ' ' CG ' ' A' ' 108' ' ' GLU . 54.0 p -81.49 145.64 55.56 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.993 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -59.56 -14.55 26.34 Favored 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 124.3 3.333 . . . . 0.0 109.593 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 60.1 p -86.46 -44.76 11.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.424 1.078 . . . . 0.0 110.005 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.463 ' CG ' ' OG ' ' A' ' 105' ' ' SER . 2.1 mm-40 -66.47 -8.19 24.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.319 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.567 ' HD2' ' CD2' ' A' ' 92' ' ' PHE . 1.5 tppt? -86.02 -63.93 1.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.68 ' HB2' ' HB2' ' A' ' 12' ' ' TYR . . . -58.88 -16.49 17.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -78.85 -36.46 42.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.628 ' CE2' HD11 ' A' ' 116' ' ' LEU . 73.4 t80 -79.99 -46.09 17.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.501 HD12 ' HG3' ' A' ' 109' ' ' LYS . 1.9 mt -50.98 -42.62 24.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.589 ' HB2' ' HG2' ' A' ' 26' ' ' PRO . . . -61.97 -69.34 0.25 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.26 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.526 ' CZ ' ' HB3' ' A' ' 32' ' ' LYS . 0.9 OUTLIER -39.9 -39.48 0.84 Allowed 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.795 -179.913 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.817 HD21 ' HG3' ' A' ' 57' ' ' PRO . 11.6 mt -68.62 -62.84 1.21 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 1.04 HD21 ' HB1' ' A' ' 5' ' ' ALA . 16.7 mt -39.38 -44.93 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.44 HG22 ' C ' ' A' ' 115' ' ' TYR . 8.7 t -77.66 -37.88 48.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.449 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.492 ' HG3' ' CD2' ' A' ' 115' ' ' TYR . 1.6 mm-40 -86.6 91.08 8.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.676 HG21 ' HB3' ' A' ' 76' ' ' ARG . 4.9 p -141.74 48.02 1.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 110.424 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 6.7 mttm -132.31 100.88 15.06 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -56.19 161.82 8.43 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.299 3.333 . . . . 0.0 109.585 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 53.5 m -86.28 -59.0 2.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.436 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' HEC . . . . . 0.784 HMA1 ' CE1' ' A' ' 92' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.561 ' O ' HG12 ' A' ' 2' ' ' VAL . 53.8 t -84.33 13.42 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 4' ' ' ASN . 76.5 m -93.75 -72.34 0.61 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 110.385 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.563 ' HB3' HD11 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -39.37 -54.88 1.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.577 ' HB1' HD22 ' A' ' 117' ' ' LEU . . . -41.87 -50.04 4.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.571 1.169 . . . . 0.0 109.302 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 3' ' ' THR . 10.4 tp10 -55.07 -47.71 74.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.319 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.452 ' C ' ' CD ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -58.71 -48.53 80.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.65 HD21 HG23 ' A' ' 85' ' ' ILE . 11.0 mt -51.52 -51.29 56.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.531 HG21 HD21 ' A' ' 117' ' ' LEU . 81.3 t -56.94 -52.18 58.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -66.73 -7.6 22.17 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.025 -0.988 . . . . 0.0 109.789 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.1 tptm -99.58 -74.75 0.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.097 . . . . 0.0 109.276 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.642 ' HB2' ' HB2' ' A' ' 110' ' ' ALA . 74.8 m-85 -46.21 -25.41 0.6 Allowed 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 114.959 -1.019 . . . . 0.0 109.846 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.461 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 25.1 m -72.72 -46.51 53.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.381 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.445 ' O ' ' N ' ' A' ' 17' ' ' HIS . 2.3 t-20 -62.09 -60.92 2.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.4 mt -43.75 -47.49 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.85 -39.86 90.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.341 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.445 ' N ' ' O ' ' A' ' 14' ' ' ASN . 12.9 t60 -69.9 -30.56 68.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.612 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 29.7 t -64.93 -10.86 32.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.046 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -110.43 -44.93 3.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.44 ' ND2' ' HD2' ' A' ' 21' ' ' PRO . 13.2 t-20 -119.84 121.68 29.58 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.44 ' HD2' ' ND2' ' A' ' 20' ' ' ASN . 88.1 Cg_endo -82.86 35.65 0.58 Allowed 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.331 3.354 . . . . 0.0 109.607 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 3.7 mtt -143.24 36.99 1.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.984 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.441 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 12.7 t80 -138.8 113.34 8.96 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.829 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -100.21 -48.65 4.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.288 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -158.16 152.37 20.13 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -59.65 -161.76 0.02 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.188 0 C-N-CA 124.321 3.347 . . . . 0.0 109.572 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 29.4 t -150.63 164.21 36.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.424 1.078 . . . . 0.0 109.982 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.596 ' HB ' HG21 ' A' ' 118' ' ' THR . 5.8 pt -117.55 43.47 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.09 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.514 ' O ' HG22 ' A' ' 29' ' ' THR . 51.5 m -154.86 35.51 0.4 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 110.411 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.491 ' HA ' HD12 ' A' ' 33' ' ' ILE . 0.2 OUTLIER -154.83 -44.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -41.85 -27.27 0.35 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.446 1.091 . . . . 0.0 110.971 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.515 ' HB3' ' CZ ' ' A' ' 115' ' ' TYR . 26.2 pttt -69.92 -46.46 65.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 0.802 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.491 HD12 ' HA ' ' A' ' 30' ' ' ASP . 19.7 mt -58.86 -55.15 25.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -56.63 -18.71 13.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.547 ' CE2' ' HD3' ' A' ' 57' ' ' PRO . 84.9 t80 -108.86 4.99 24.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.956 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.411 ' OD1' ' O ' ' A' ' 35' ' ' PHE . 85.7 m-20 -142.52 27.43 1.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.471 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -104.56 88.97 3.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -43.61 95.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.253 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.56 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 30.6 p90 -106.62 161.14 14.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 111.016 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.26 135.06 46.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.423 ' HB ' ' HD2' ' A' ' 42' ' ' PRO . 69.3 p -79.15 154.64 77.34 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 110.427 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.88 ' HG3' ' HA3' ' A' ' 101' ' ' GLY . 60.7 Cg_endo -64.83 -6.2 12.09 Favored 'Trans proline' 0 N--CA 1.447 -1.251 0 C-N-CA 124.348 3.365 . . . . 0.0 109.587 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.2 p -107.94 31.92 5.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.029 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 49.78 83.81 0.03 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.529 1.143 . . . . 0.0 111.015 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.473 ' HD3' ' HB2' ' A' ' 47' ' ' ALA . 0.0 OUTLIER 178.72 124.59 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 0.762 . . . . 0.0 109.322 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -79.99 125.31 29.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 0.0 110.322 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.473 ' HB2' ' HD3' ' A' ' 45' ' ' LYS . . . -141.39 177.93 7.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.56 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -159.11 153.87 24.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.44 ' CB ' ' CD1' ' A' ' 35' ' ' PHE . 61.7 m -65.69 -12.34 52.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 108.279 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.482 ' HB1' ' HA ' ' A' ' 55' ' ' ASN . . . -103.68 5.93 36.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.483 ' OG ' ' CMC' ' A' ' 125' ' ' HEC . 90.5 p -73.58 -31.86 63.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.034 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 62' ' ' LYS . 61.2 m -116.06 -42.78 3.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 108.307 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.499 ' O ' ' OG1' ' A' ' 54' ' ' THR . 69.0 m-70 -86.54 15.73 5.27 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.733 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.499 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 61.3 p 49.77 173.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 110.399 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.482 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 7.4 p30 -56.48 -25.95 52.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -127.32 124.63 23.75 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.547 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 65.0 Cg_endo -70.64 -39.46 4.79 Favored 'Trans proline' 0 N--CA 1.447 -1.209 0 C-N-CA 124.338 3.359 . . . . 0.0 109.632 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.34 -16.05 12.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -89.12 175.31 7.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.26 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 40.4 t -78.98 117.09 23.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.248 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.467 ' HA2' HG23 ' A' ' 54' ' ' THR . . . -77.21 -169.49 31.96 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.528 1.143 . . . . 0.0 110.996 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 52' ' ' CYS . 0.5 OUTLIER -170.24 122.23 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 0.749 . . . . 0.0 109.257 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.641 ' ND2' HD11 ' A' ' 70' ' ' ILE . 90.9 m-20 -77.72 134.89 38.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 7.0 pt -84.33 8.15 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 67.8 t -87.28 -54.57 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.256 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 71.9 p -106.86 -34.42 7.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.382 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 88.36 47.48 4.33 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.128 . . . . 0.0 110.99 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.65 -166.35 1.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.57 0.806 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -112.83 101.19 9.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.316 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.641 HD11 ' ND2' ' A' ' 63' ' ' ASN . 2.8 mm -82.35 118.07 70.64 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -46.65 163.77 0.11 Allowed 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.306 3.338 . . . . 0.0 109.621 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -48.44 132.32 24.42 Favored 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.343 3.362 . . . . 0.0 109.569 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.468 HD11 ' C2A' ' A' ' 125' ' ' HEC . 5.5 tp -84.76 -31.14 24.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.647 ' HB3' ' HB ' ' A' ' 77' ' ' VAL . . . -39.61 100.3 0.21 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.265 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.606 ' HB3' ' CD1' ' A' ' 82' ' ' PHE . 48.0 Cg_exo -59.37 -13.04 18.68 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.341 3.361 . . . . 0.0 109.557 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.6 ttp85 -100.84 -53.55 3.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 110.273 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.647 ' HB ' ' HB3' ' A' ' 74' ' ' ALA . 40.3 t -54.86 -40.25 51.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.431 ' ND2' ' HG2' ' A' ' 81' ' ' ARG . 40.1 t-20 -95.05 104.46 16.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 43.4 p -59.19 -19.11 42.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.418 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.413 ' O ' ' NH1' ' A' ' 81' ' ' ARG . 6.6 mmtp -88.28 43.19 1.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.084 . . . . 0.0 109.277 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.502 ' CB ' ' HA ' ' A' ' 75' ' ' PRO . 86.7 mmt-85 -147.24 171.99 14.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 110.311 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.606 ' CD1' ' HB3' ' A' ' 75' ' ' PRO . 3.8 m-30 36.05 66.07 0.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 86.5 m -96.46 -60.4 1.62 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 110.384 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -112.04 100.76 9.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.65 HG23 HD21 ' A' ' 8' ' ' LEU . 55.6 mt -40.16 -43.67 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 85' ' ' ILE . 29.9 t0 -40.41 -58.67 1.49 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.86 79.57 6.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.262 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER 174.54 -34.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -71.15 -53.96 12.69 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.548 1.155 . . . . 0.0 110.3 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -65.06 -49.47 69.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 109.327 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -47.57 -38.71 14.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 110.277 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.577 ' CZ ' ' CMA' ' A' ' 125' ' ' HEC . 0.1 OUTLIER -62.86 -27.04 69.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 111.003 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.646 HG23 ' CG ' ' A' ' 103' ' ' ASP . 1.0 OUTLIER -88.34 -36.67 16.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.373 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.0 mmmt -72.07 -29.69 64.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.423 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.4 t60 -67.46 -60.6 2.43 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.78 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.45 ' C ' ' O ' ' A' ' 102' ' ' ALA . 1.8 m -54.78 -25.11 25.82 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.567 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.459 ' HA ' ' N ' ' A' ' 102' ' ' ALA . 1.9 m-20 -78.84 -15.8 57.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -111.53 -4.53 14.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.423 HG13 ' CE1' ' A' ' 95' ' ' HIS . 48.9 mm -111.06 -57.33 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.712 HD12 ' SG ' ' A' ' 104' ' ' CYS . 47.0 mt -91.33 -15.86 28.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.88 ' HA3' ' HG3' ' A' ' 42' ' ' PRO . . . 87.64 13.7 64.64 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.516 1.135 . . . . 0.0 111.039 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.459 ' N ' ' HA ' ' A' ' 97' ' ' ASN . . . -161.2 -169.98 2.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 0.759 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.646 ' CG ' HG23 ' A' ' 93' ' ' THR . 8.2 t0 -96.9 121.39 38.72 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.712 ' SG ' HD12 ' A' ' 100' ' ' LEU . 45.2 m -61.39 161.5 9.21 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.04 -0.982 . . . . 0.0 109.554 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.5 m -74.57 143.35 78.88 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.135 . . . . 0.0 109.951 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -61.52 -20.69 69.6 Favored 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.333 3.356 . . . . 0.0 109.603 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 53.0 p -82.52 -34.65 27.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.027 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -75.5 -14.45 60.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.342 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.568 ' HD2' ' CD1' ' A' ' 92' ' ' PHE . 0.6 OUTLIER -78.3 -59.64 2.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.642 ' HB2' ' HB2' ' A' ' 12' ' ' TYR . . . -59.04 -24.67 63.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -69.0 -39.84 79.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.31 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.711 ' CE2' HD11 ' A' ' 116' ' ' LEU . 39.5 t80 -76.5 -45.98 28.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 111.049 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.654 ' O ' HD23 ' A' ' 117' ' ' LEU . 1.9 mt -52.55 -38.58 26.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.36 -60.44 2.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.515 ' CZ ' ' HB3' ' A' ' 32' ' ' LYS . 1.3 t80 -53.14 -35.2 59.47 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.851 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.711 HD11 ' CE2' ' A' ' 112' ' ' PHE . 7.2 mt -70.37 -41.63 72.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.421 1.076 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.901 HD12 ' O ' ' A' ' 117' ' ' LEU . 1.2 pp -92.34 28.25 2.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.143 . . . . 0.0 109.332 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.689 ' O ' HG23 ' A' ' 120' ' ' THR . 1.9 m -115.13 -63.87 1.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.353 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -61.88 110.47 1.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.689 HG23 ' O ' ' A' ' 118' ' ' THR . 42.9 p -107.8 54.26 0.67 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 110.386 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.897 ' HD2' ' OXT' ' A' ' 124' ' ' LYS . 0.0 OUTLIER -176.37 145.54 0.71 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -82.27 168.01 15.26 Favored 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.338 3.359 . . . . 0.0 109.562 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' THR . . . . . 0.482 ' O ' HG22 ' A' ' 123' ' ' THR . 34.1 m 64.01 54.73 1.65 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 110.397 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.897 ' OXT' ' HD2' ' A' ' 121' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.235 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' HEC . . . . . 0.685 HBB3 HMB1 ' A' ' 125' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 54.0 t -58.18 -48.28 85.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.3 m -38.43 -41.61 0.66 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 110.425 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -79.66 -49.09 12.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.241 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.969 ' HB1' HD22 ' A' ' 117' ' ' LEU . . . -51.44 -47.79 62.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -52.86 -49.45 65.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.572 1.17 . . . . 0.0 110.307 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.436 ' C ' ' CD ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -53.14 -52.93 57.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.479 HD11 HG11 ' A' ' 88' ' ' VAL . 10.9 mt -51.39 -53.04 40.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.266 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.571 HG21 HD21 ' A' ' 117' ' ' LEU . 91.7 t -59.91 -36.5 67.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -80.27 6.95 10.53 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.851 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.8 mmtm -119.83 -74.05 0.62 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 109.326 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.405 ' HB2' ' HB2' ' A' ' 110' ' ' ALA . 83.1 m-85 -45.88 -24.06 0.35 Allowed 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.799 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.431 ' CG2' ' O ' ' A' ' 24' ' ' GLU . 51.8 m -75.5 -53.36 8.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 110.421 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -55.87 -53.61 54.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.8 mt -50.4 -48.2 25.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.72 -45.39 94.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.338 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.461 ' HA ' ' O ' ' A' ' 20' ' ' ASN . 72.7 t60 -64.45 -30.21 71.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.584 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.5 t -71.68 -18.22 62.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.992 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -102.35 -21.48 14.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.461 ' O ' ' HA ' ' A' ' 17' ' ' HIS . 11.3 t-20 -146.77 119.37 4.9 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.422 ' HD2' ' ND2' ' A' ' 20' ' ' ASN . 91.0 Cg_endo -83.18 31.82 0.52 Allowed 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.338 3.358 . . . . 0.0 109.586 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.6 mtp -138.9 30.52 2.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 110.98 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.45 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 82.4 t80 -147.86 112.4 5.32 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.058 -0.973 . . . . 0.0 109.796 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.431 ' O ' ' CG2' ' A' ' 13' ' ' THR . 3.2 mm-40 -94.89 -48.61 5.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 110.322 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.66 ' HB1' ' CD ' ' A' ' 26' ' ' PRO . . . -160.72 175.6 3.03 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.66 ' CD ' ' HB1' ' A' ' 25' ' ' ALA . 16.6 Cg_exo -70.57 -178.55 2.71 Favored 'Trans proline' 0 N--CA 1.448 -1.198 0 C-N-CA 124.362 3.375 . . . . 0.0 109.537 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.485 ' C ' HG13 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -136.96 25.15 3.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 0.0 110.012 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.815 ' O ' HD12 ' A' ' 28' ' ' ILE . 2.7 pp 35.26 36.28 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.457 ' N ' ' O ' ' A' ' 27' ' ' SER . 35.5 m -126.64 -59.06 1.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.394 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.621 ' HB2' HD22 ' A' ' 111' ' ' ASN . 0.8 OUTLIER -58.27 -16.65 14.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.574 ' HA3' ' CD2' ' A' ' 115' ' ' TYR . . . -70.03 63.88 0.72 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.471 1.107 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.21 -47.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 0.759 . . . . 0.0 109.293 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 89.7 mt -62.13 -41.38 91.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -76.5 -9.75 58.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 0.0 110.966 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.57 ' CD1' ' HB2' ' A' ' 49' ' ' CYS . 82.5 t80 -111.71 9.18 20.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 111.028 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -145.9 26.92 1.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.485 ' O ' ' N ' ' A' ' 39' ' ' PHE . 4.1 tpm_? -100.88 93.07 5.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.294 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -46.68 93.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.598 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 24.0 p90 -107.62 156.41 19.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -105.01 139.16 40.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.439 ' HB ' ' HD2' ' A' ' 42' ' ' PRO . 52.4 p -83.12 154.86 67.26 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.395 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.889 ' HG3' ' HA3' ' A' ' 101' ' ' GLY . 56.9 Cg_endo -62.85 -7.85 12.28 Favored 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.36 3.373 . . . . 0.0 109.595 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.5 p -103.83 32.67 3.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 109.961 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 48.71 80.14 0.06 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.122 . . . . 0.0 110.995 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 24.0 ttpt -175.03 135.23 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 0.789 . . . . 0.0 109.28 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -93.43 123.25 36.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -136.33 -169.44 2.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.608 ' O ' HMC3 ' A' ' 125' ' ' HEC . . . -175.1 154.15 1.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.27 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.57 ' HB2' ' CD1' ' A' ' 35' ' ' PHE . 21.4 m -70.11 -8.02 46.21 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 108.321 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.444 ' HA ' ' O ' ' A' ' 54' ' ' THR . . . -107.29 5.67 27.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.252 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.4 ' HB2' ' O ' ' A' ' 48' ' ' ALA . 0.4 OUTLIER -86.51 -20.29 28.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.972 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 63.9 m -122.31 -44.71 2.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 108.326 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.523 ' O ' ' OG1' ' A' ' 54' ' ' THR . 65.2 m-70 -93.35 16.51 13.17 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 114.961 -1.018 . . . . 0.0 109.791 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.523 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 58.0 p 50.63 169.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 110.366 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.42 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 9.9 p30 -53.07 -25.8 13.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 15.9 t30 -128.71 124.78 22.79 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.512 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 74.2 Cg_endo -71.31 -37.32 5.91 Favored 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.292 3.328 . . . . 0.0 109.614 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.76 -13.87 17.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 0.0 109.235 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -92.65 173.73 7.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 87.1 t -75.32 127.61 36.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.415 ' HA2' HG23 ' A' ' 54' ' ' THR . . . -99.74 -177.67 30.93 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.545 1.153 . . . . 0.0 111.006 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -161.63 135.86 6.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 0.789 . . . . 0.0 109.322 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.921 ' ND2' HD11 ' A' ' 70' ' ' ILE . 92.9 m-20 -85.7 127.45 34.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.8 pt -83.11 5.83 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 74.5 t -86.78 -53.78 9.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.244 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 77.1 p -109.13 -34.02 6.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.392 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 81.59 35.29 23.01 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.55 1.156 . . . . 0.0 111.001 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 32.8 mmtt -80.27 -94.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 0.752 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.403 ' O ' ' HD3' ' A' ' 71' ' ' PRO . 9.5 pt-20 -179.39 123.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.921 HD11 ' ND2' ' A' ' 63' ' ' ASN . 2.2 mm -114.06 96.01 40.39 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.42 ' HB3' ' HD2' ' A' ' 72' ' ' PRO . 89.0 Cg_exo -49.42 167.56 0.16 Allowed 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.321 3.347 . . . . 0.0 109.614 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.42 ' HD2' ' HB3' ' A' ' 71' ' ' PRO . 68.2 Cg_exo -37.4 132.32 0.59 Allowed 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 124.338 3.359 . . . . 0.0 109.586 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.424 ' O ' ' C ' ' A' ' 74' ' ' ALA . 3.7 tp -94.2 -30.21 14.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.542 ' HA ' HD22 ' A' ' 116' ' ' LEU . . . -38.56 108.53 0.46 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.285 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.533 ' HB2' ' CG ' ' A' ' 82' ' ' PHE . 71.8 Cg_endo -79.25 41.88 1.18 Allowed 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.294 3.33 . . . . 0.0 109.575 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.785 ' NH1' HG22 ' A' ' 120' ' ' THR . 0.0 OUTLIER -148.61 -56.44 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.291 -179.904 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.45 HG12 ' OD1' ' A' ' 78' ' ' ASN . 14.1 t -42.79 -42.69 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 109.254 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.485 ' N ' ' OD1' ' A' ' 78' ' ' ASN . 0.2 OUTLIER -100.63 147.83 25.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 25.4 p -90.29 2.62 55.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.404 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.86 47.29 0.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.25 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.408 ' CB ' ' HA ' ' A' ' 75' ' ' PRO . 59.0 mmt-85 -143.77 158.18 43.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.16 . . . . 0.0 110.32 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.533 ' CG ' ' HB2' ' A' ' 75' ' ' PRO . 1.6 m-30 50.8 34.17 9.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.941 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 34.9 m -91.65 53.42 2.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.147 . . . . 0.0 110.43 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.2 t0 177.93 90.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.464 HG23 ' O ' ' A' ' 85' ' ' ILE . 2.5 tt -89.45 40.06 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -126.66 -46.82 1.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.408 ' HE3' ' CG ' ' A' ' 91' ' ' GLU . 30.4 tttp -87.35 -34.36 18.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.479 HG11 HD11 ' A' ' 8' ' ' LEU . 1.2 t -50.62 -36.92 14.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -77.26 57.46 1.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.275 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.1 t0 175.49 -48.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.41 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 6.5 mm-40 -56.25 -19.09 12.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.724 ' CZ ' ' CMA' ' A' ' 125' ' ' HEC . 0.1 OUTLIER -84.02 -24.07 30.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 110.975 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.0 -31.45 18.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 110.406 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 43.4 mmtt -75.98 -30.03 58.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.574 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.3 t60 -67.72 -58.77 4.07 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 115.008 -0.996 . . . . 0.0 109.774 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.424 ' C ' ' O ' ' A' ' 102' ' ' ALA . 8.4 m -57.24 -24.81 57.14 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.561 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.451 ' HA ' ' N ' ' A' ' 102' ' ' ALA . 1.6 m-20 -81.29 -13.0 58.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -115.53 -2.84 12.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.574 HG13 ' CE1' ' A' ' 95' ' ' HIS . 26.8 mm -114.47 -55.13 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.777 HD12 ' SG ' ' A' ' 104' ' ' CYS . 41.5 mt -94.46 -9.56 35.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.889 ' HA3' ' HG3' ' A' ' 42' ' ' PRO . . . 81.11 13.86 80.21 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.55 1.156 . . . . 0.0 110.998 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.451 ' N ' ' HA ' ' A' ' 97' ' ' ASN . . . -167.72 176.81 6.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.448 0.734 . . . . 0.0 109.361 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -79.14 131.62 36.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.777 ' SG ' HD12 ' A' ' 100' ' ' LEU . 35.9 m -71.37 162.06 30.04 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.536 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.5 m -73.66 141.67 79.66 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.974 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_endo -60.3 -17.0 44.29 Favored 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.335 3.357 . . . . 0.0 109.595 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 54.2 p -87.74 -38.03 16.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.947 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -70.63 -5.66 31.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.324 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.57 ' HG3' HD12 ' A' ' 113' ' ' ILE . 2.6 tppt? -92.08 -65.77 0.98 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.405 ' HB2' ' HB2' ' A' ' 12' ' ' TYR . . . -49.74 -22.66 1.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.267 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.621 HD22 ' HB2' ' A' ' 30' ' ' ASP . 7.5 t-20 -77.23 -37.25 53.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.703 ' CE2' HD11 ' A' ' 116' ' ' LEU . 47.2 t80 -77.32 -45.71 25.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.7 ' O ' HD23 ' A' ' 117' ' ' LEU . 1.7 mt -55.76 -39.21 54.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 117' ' ' LEU . . . -63.9 -70.69 0.2 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.142 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.574 ' CD2' ' HA3' ' A' ' 31' ' ' GLY . 1.2 t80 -43.85 -29.45 0.55 Allowed 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 114.966 -1.015 . . . . 0.0 109.831 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.703 HD11 ' CE2' ' A' ' 112' ' ' PHE . 12.0 mt -73.58 -44.85 56.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.969 HD22 ' HB1' ' A' ' 5' ' ' ALA . 1.0 OUTLIER -92.16 30.29 1.47 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.844 ' O ' HG23 ' A' ' 120' ' ' THR . 1.3 m -123.51 -63.49 1.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.451 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -54.84 113.4 1.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.844 HG23 ' O ' ' A' ' 118' ' ' THR . 82.7 p -114.53 54.25 0.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.085 . . . . 0.0 110.423 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.3 ptmt -175.78 137.71 0.51 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.319 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_endo -82.5 166.66 15.64 Favored 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.311 3.34 . . . . 0.0 109.593 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 50.6 m -85.73 -62.61 1.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.414 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.685 ' HG3' ' OXT' ' A' ' 124' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' HEC . . . . . 0.724 ' CMA' ' CZ ' ' A' ' 92' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.751 ' C ' HG23 ' A' ' 2' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.751 HG23 ' C ' ' A' ' 1' ' ' ASP . 3.0 t 87.05 -41.91 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.1 m -46.75 -26.79 1.01 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.13 . . . . 0.0 110.41 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.575 ' HB3' HD11 ' A' ' 85' ' ' ILE . 0.1 OUTLIER -84.82 -52.75 5.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.705 ' HB1' HD22 ' A' ' 117' ' ' LEU . . . -45.28 -47.22 12.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -56.77 -47.56 79.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.0 mmtm -55.86 -53.83 51.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.626 HD22 ' HE2' ' A' ' 12' ' ' TYR . 10.8 mt -47.76 -49.93 27.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 5' ' ' ALA . 59.8 t -60.03 -45.03 96.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -67.8 -12.88 61.51 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.843 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.418 ' HG3' HD12 ' A' ' 15' ' ' ILE . 7.3 tptt -95.83 -72.01 0.65 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.626 ' HE2' HD22 ' A' ' 8' ' ' LEU . 54.0 m-85 -45.69 -26.36 0.62 Allowed 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.829 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.418 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 22.4 m -74.0 -41.54 61.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 110.359 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.43 ' O ' ' N ' ' A' ' 18' ' ' SER . 16.3 t-20 -65.36 -60.16 3.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.418 HD12 ' HG3' ' A' ' 11' ' ' LYS . 2.9 mt -44.68 -48.12 2.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.29 -46.65 85.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.479 ' ND1' ' O ' ' A' ' 23' ' ' TYR . 9.4 t60 -65.71 -33.02 74.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 109.611 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 14' ' ' ASN . 44.5 t -67.08 -9.93 44.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.985 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -103.14 -39.8 6.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 109.346 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.411 ' O ' ' OD1' ' A' ' 20' ' ' ASN . 38.4 p-10 -140.77 135.2 15.4 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -85.12 46.02 1.74 Allowed 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.303 3.335 . . . . 0.0 109.64 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 6.7 ptt? -145.41 37.86 1.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 110.966 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.479 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 12.4 t80 -146.57 106.15 3.94 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.802 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -93.2 -49.3 6.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.324 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.595 ' HB1' ' HD2' ' A' ' 26' ' ' PRO . . . -152.09 167.59 12.9 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.595 ' HD2' ' HB1' ' A' ' 25' ' ' ALA . 59.8 Cg_endo -87.56 -173.27 1.0 Allowed 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.297 3.332 . . . . 0.0 109.602 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.458 ' OG ' ' N ' ' A' ' 28' ' ' ILE . 18.4 t -140.03 -176.43 4.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.974 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.458 ' N ' ' OG ' ' A' ' 27' ' ' SER . 6.2 pt -125.41 53.53 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.9 m -139.29 -45.23 0.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.387 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -58.55 -34.68 71.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.598 ' O ' ' CE1' ' A' ' 115' ' ' TYR . . . -69.42 69.29 0.52 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.49 1.119 . . . . 0.0 110.968 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.442 ' HG2' ' CE1' ' A' ' 115' ' ' TYR . 4.0 mmtp -165.23 -61.62 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.472 0.748 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 26.2 mt -68.39 -50.36 57.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.607 ' CZ ' ' OE1' ' A' ' 108' ' ' GLU . 14.2 t80 -54.65 -21.19 9.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.976 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.59 ' CD1' ' HB2' ' A' ' 49' ' ' CYS . 86.3 t80 -108.2 5.36 25.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.41 ' OD1' ' O ' ' A' ' 35' ' ' PHE . 85.8 m-20 -142.36 25.59 1.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -103.75 99.26 9.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.289 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -49.72 92.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.578 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 22.5 p90 -105.38 156.43 18.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 111.031 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.03 139.46 39.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.419 ' HB ' ' HD2' ' A' ' 42' ' ' PRO . 30.1 p -84.42 154.38 62.62 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.391 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.888 ' HG3' ' HA3' ' A' ' 101' ' ' GLY . 53.8 Cg_endo -62.09 -8.19 11.54 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.286 3.324 . . . . 0.0 109.629 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 p -103.35 34.43 2.93 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.525 1.141 . . . . 0.0 110.018 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 47.08 81.35 0.04 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.477 1.11 . . . . 0.0 110.967 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -176.88 140.69 0.33 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 0.742 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -97.41 124.94 41.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.271 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.47 -175.34 4.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.578 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -167.43 154.63 8.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.59 ' HB2' ' CD1' ' A' ' 35' ' ' PHE . 21.8 m -70.52 -7.84 46.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 108.302 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.459 ' HA ' ' O ' ' A' ' 54' ' ' THR . . . -106.31 4.19 28.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.95 -17.76 36.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.98 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 62' ' ' LYS . 66.9 m -124.72 -45.57 1.9 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 108.289 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.506 ' O ' ' O ' ' A' ' 54' ' ' THR . 59.3 m-70 -93.26 18.57 9.33 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.752 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.506 ' O ' ' O ' ' A' ' 53' ' ' HIS . 47.9 p 49.28 171.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 110.42 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -52.25 -24.73 7.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.085 . . . . 0.0 109.275 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -130.28 126.88 22.4 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.498 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 74.0 Cg_endo -70.85 -43.96 1.54 Allowed 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.32 3.347 . . . . 0.0 109.61 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.18 -18.42 3.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -87.1 176.45 7.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.45 HG22 ' HD3' ' A' ' 72' ' ' PRO . 74.8 t -78.61 121.7 32.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.16 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.476 ' HA2' HG23 ' A' ' 54' ' ' THR . . . -86.16 -170.27 46.8 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.528 1.142 . . . . 0.0 110.981 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 52' ' ' CYS . 1.4 ttmt -165.32 124.1 1.69 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 0.764 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.916 ' ND2' HD11 ' A' ' 70' ' ' ILE . 89.8 m-20 -79.42 128.55 33.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.0 pt -83.49 6.1 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 53.2 t -87.87 -54.65 7.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 63.5 p -107.41 -35.29 6.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 110.422 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 80.38 34.28 29.45 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.49 1.119 . . . . 0.0 110.965 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -79.92 -95.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 0.736 . . . . 0.0 109.269 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -178.38 122.19 0.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 110.301 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.916 HD11 ' ND2' ' A' ' 63' ' ' ASN . 2.2 mm -111.2 102.28 52.53 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.446 ' HB3' ' HD2' ' A' ' 72' ' ' PRO . 85.4 Cg_exo -50.64 169.99 0.15 Allowed 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.346 3.364 . . . . 0.0 109.579 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.45 ' HD3' HG22 ' A' ' 60' ' ' VAL . 74.6 Cg_exo -38.5 130.65 1.11 Allowed 'Trans proline' 0 N--CA 1.448 -1.175 0 C-N-CA 124.296 3.33 . . . . 0.0 109.608 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.605 HD11 HBA2 ' A' ' 125' ' ' HEC . 3.3 tp -87.19 -32.03 20.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.339 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 73' ' ' LEU . . . -36.93 97.07 0.12 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.695 ' CD ' HD13 ' A' ' 116' ' ' LEU . 24.6 Cg_exo -63.66 -14.27 41.71 Favored 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.323 3.349 . . . . 0.0 109.609 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.54 -44.24 8.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.507 HG12 ' OD1' ' A' ' 78' ' ' ASN . 19.3 t -50.81 -42.66 23.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.239 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.507 ' OD1' HG12 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -103.2 133.96 47.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.5 t -82.95 -1.91 53.64 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.533 1.145 . . . . 0.0 110.388 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt -102.71 29.97 5.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.511 ' CB ' ' HA ' ' A' ' 75' ' ' PRO . 6.5 mmt180 -125.3 -92.1 0.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.313 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.636 ' CD1' ' HB3' ' A' ' 75' ' ' PRO . 1.5 m-30 -66.64 68.06 0.06 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.429 1.081 . . . . 0.0 110.966 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.596 HG22 ' O ' ' A' ' 83' ' ' THR . 22.0 m -131.76 41.46 3.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.407 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -175.57 63.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.326 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.603 HG23 HD21 ' A' ' 8' ' ' LEU . 96.2 mt -41.06 -49.73 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 85' ' ' ILE . 0.3 OUTLIER -39.55 -57.1 1.53 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -101.72 94.06 5.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER 174.16 -34.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.435 1.084 . . . . 0.0 109.277 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.405 ' HA ' ' OH ' ' A' ' 12' ' ' TYR . 0.5 OUTLIER -74.39 -27.44 60.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -83.73 -50.41 8.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 3.7 mm-40 -52.94 -20.46 3.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.26 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.652 ' CZ ' ' CMA' ' A' ' 125' ' ' HEC . 0.1 OUTLIER -79.58 -26.87 41.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.577 HG23 ' OD2' ' A' ' 103' ' ' ASP . 1.0 OUTLIER -87.76 -33.66 18.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.375 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -72.57 -34.3 67.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 1.168 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.574 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.2 t60 -63.75 -60.4 3.35 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.746 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.428 ' C ' ' O ' ' A' ' 102' ' ' ALA . 7.6 m -54.52 -26.89 34.45 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.589 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.462 ' HA ' ' N ' ' A' ' 102' ' ' ALA . 1.5 m-20 -77.7 -15.09 59.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -113.16 -0.97 14.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.574 HG13 ' CE1' ' A' ' 95' ' ' HIS . 22.3 mm -113.75 -57.31 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.525 HD12 ' SG ' ' A' ' 104' ' ' CYS . 63.9 mt -92.44 -19.17 22.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.888 ' HA3' ' HG3' ' A' ' 42' ' ' PRO . . . 93.27 13.3 56.2 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.488 1.118 . . . . 0.0 111.017 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.462 ' N ' ' HA ' ' A' ' 97' ' ' ASN . . . -163.15 -173.55 3.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 0.779 . . . . 0.0 109.263 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.577 ' OD2' HG23 ' A' ' 93' ' ' THR . 11.3 t0 -91.26 123.61 34.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.525 ' SG ' HD12 ' A' ' 100' ' ' LEU . 34.0 m -60.54 161.77 7.2 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.966 -1.015 . . . . 0.0 109.574 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.411 ' N ' ' HG2' ' A' ' 108' ' ' GLU . 0.9 OUTLIER -63.63 158.38 59.99 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.01 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -81.07 -24.45 4.66 Favored 'Trans proline' 0 N--CA 1.448 -1.188 0 C-N-CA 124.281 3.321 . . . . 0.0 109.537 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.49 -8.92 49.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.012 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.607 ' OE1' ' CZ ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -95.56 -21.51 18.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.277 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.823 ' O ' HD12 ' A' ' 113' ' ' ILE . 0.2 OUTLIER -72.8 -49.26 31.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.33 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.557 ' HB2' ' CB ' ' A' ' 12' ' ' TYR . . . -59.49 -43.45 93.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.155 . . . . 0.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.485 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 1.7 t-20 -49.96 -64.66 0.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.44 ' CE2' HD11 ' A' ' 116' ' ' LEU . 37.1 t80 -50.11 -46.69 53.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.823 HD12 ' O ' ' A' ' 109' ' ' LYS . 1.5 mt -54.32 -31.2 22.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 111' ' ' ASN . . . -74.4 -60.91 2.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.248 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.598 ' CE1' ' O ' ' A' ' 31' ' ' GLY . 0.6 OUTLIER -50.29 -32.67 17.58 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.795 -179.82 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.695 HD13 ' CD ' ' A' ' 75' ' ' PRO . 10.0 mt -73.07 -41.51 64.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.367 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.854 HD12 ' O ' ' A' ' 117' ' ' LEU . 1.3 pp -90.82 20.87 4.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.419 ' O ' HG23 ' A' ' 120' ' ' THR . 1.7 m -105.36 -71.94 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 110.396 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -62.39 125.43 23.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.332 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.419 HG23 ' O ' ' A' ' 118' ' ' THR . 42.7 p -114.71 44.57 1.73 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 110.411 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.51 149.5 1.1 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -70.04 167.91 23.45 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.329 3.352 . . . . 0.0 109.584 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 124' ' ' LYS . 1.7 m -69.77 -58.38 3.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.393 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 123' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' HEC . . . . . 0.711 HBB3 HMB1 ' A' ' 125' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.46 ' HA ' ' HB3' ' A' ' 5' ' ' ALA . 53.5 t -51.98 -40.14 27.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.6 m -41.12 -45.48 2.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.383 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -78.45 -48.18 15.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.46 ' HB3' ' HA ' ' A' ' 2' ' ' VAL . . . -49.34 -49.6 43.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -58.5 -40.69 83.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.45 -50.49 73.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.675 HD21 ' CG1' ' A' ' 85' ' ' ILE . 6.1 mt -54.23 -52.59 60.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.516 HG21 HD21 ' A' ' 117' ' ' LEU . 87.3 t -54.11 -47.34 66.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.312 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -77.68 4.92 10.33 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.809 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.5 mmtt -110.64 -72.36 0.72 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.153 . . . . 0.0 109.276 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.484 ' HE2' HD13 ' A' ' 8' ' ' LEU . 97.9 m-85 -51.39 -21.38 2.25 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.844 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.428 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 29.2 m -76.09 -48.09 22.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 110.392 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.408 ' O ' ' N ' ' A' ' 18' ' ' SER . 54.0 t-20 -62.94 -52.73 61.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.0 mt -50.71 -45.21 27.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.68 -37.75 88.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.508 ' ND1' ' O ' ' A' ' 23' ' ' TYR . 33.2 t60 -71.38 -27.11 63.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.57 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 14' ' ' ASN . 46.0 t -72.61 -25.12 61.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.064 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.78 -35.07 14.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.415 ' O ' ' HA ' ' A' ' 17' ' ' HIS . 1.4 t-20 -138.23 117.73 9.81 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -80.13 41.05 1.05 Allowed 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.362 3.375 . . . . 0.0 109.594 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.4 mtp -142.3 35.88 1.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 111.009 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.508 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 58.5 t80 -149.47 117.66 6.4 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.824 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -96.92 -46.91 6.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.307 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.678 ' HB1' ' CD ' ' A' ' 26' ' ' PRO . . . -167.14 176.45 1.73 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.678 ' CD ' ' HB1' ' A' ' 25' ' ' ALA . 15.6 Cg_exo -71.28 -171.21 0.57 Allowed 'Trans proline' 0 N--CA 1.446 -1.268 0 C-N-CA 124.348 3.365 . . . . 0.0 109.633 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.99 24.47 0.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.971 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 36.7 pt 42.51 49.44 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.253 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 39.5 m -131.29 -52.01 1.02 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.148 . . . . 0.0 110.351 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.493 ' HB2' ' ND2' ' A' ' 111' ' ' ASN . 1.0 OUTLIER -56.33 -39.06 72.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.098 . . . . 0.0 109.303 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.401 ' O ' ' CG ' ' A' ' 115' ' ' TYR . . . -71.79 58.46 1.33 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.525 1.14 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.504 ' HG2' ' CZ ' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -154.18 -63.57 0.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 0.784 . . . . 0.0 109.278 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 30.0 mt -78.17 -43.51 27.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -57.13 -22.04 37.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.962 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.598 ' CD1' ' CB ' ' A' ' 49' ' ' CYS . 87.2 t80 -106.81 7.05 30.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 111.013 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -143.57 26.84 1.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.468 ' O ' ' N ' ' A' ' 39' ' ' PHE . 2.4 tpm_? -103.92 93.69 5.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -47.32 94.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.612 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 26.8 p90 -101.45 163.43 12.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.15 134.53 53.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.426 ' HB ' ' HD2' ' A' ' 42' ' ' PRO . 23.0 p -84.05 154.59 63.98 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.378 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.814 ' HG3' ' HA3' ' A' ' 101' ' ' GLY . 61.6 Cg_endo -64.73 -6.03 11.58 Favored 'Trans proline' 0 N--CA 1.446 -1.29 0 C-N-CA 124.334 3.356 . . . . 0.0 109.61 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.8 p -98.27 8.93 44.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.073 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.03 75.46 0.5 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.445 1.091 . . . . 0.0 111.006 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -170.58 136.37 1.25 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 0.777 . . . . 0.0 109.318 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -91.02 122.33 33.59 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 110.316 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.94 -177.11 4.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.426 1.079 . . . . 0.0 109.37 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.612 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -167.07 155.06 9.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.108 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.598 ' CB ' ' CD1' ' A' ' 35' ' ' PHE . 31.0 m -68.78 -9.29 50.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 108.342 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.423 ' HA ' ' O ' ' A' ' 54' ' ' THR . . . -106.61 3.19 26.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.409 ' HB2' ' O ' ' A' ' 48' ' ' ALA . 0.4 OUTLIER -83.61 -18.05 39.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.994 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 57.4 m -125.17 -46.28 1.81 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 108.354 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.912 ' CE1' HD23 ' A' ' 73' ' ' LEU . 74.4 m-70 -91.67 16.91 9.66 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.759 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.523 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 43.2 p 50.65 168.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.391 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.407 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 9.0 p30 -51.88 -25.82 8.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -129.05 123.39 21.78 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.522 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 55.2 Cg_endo -68.98 -38.79 8.98 Favored 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.3 3.333 . . . . 0.0 109.652 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.627 ' HA ' ' HB2' ' A' ' 74' ' ' ALA . . . -59.6 -14.68 14.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -93.22 169.16 10.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 27.6 t -70.13 136.12 26.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.351 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -109.52 -178.64 21.21 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.552 1.158 . . . . 0.0 110.96 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.0 ttmm -156.56 136.96 13.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 0.774 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.922 ' ND2' HD11 ' A' ' 70' ' ' ILE . 87.0 m-20 -87.01 130.57 34.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.5 pt -85.99 9.7 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.348 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 61.7 t -91.48 -55.34 6.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 71.3 p -109.03 -33.3 6.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.403 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 79.71 35.18 29.19 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -78.14 -92.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 0.0 109.298 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -179.01 119.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.294 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.922 HD11 ' ND2' ' A' ' 63' ' ' ASN . 3.2 mm -108.93 122.9 38.56 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -70.94 160.03 50.64 Favored 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.327 3.352 . . . . 0.0 109.608 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.412 ' HB3' ' O ' ' A' ' 58' ' ' ALA . 4.6 Cg_endo -45.67 129.64 11.74 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.33 3.353 . . . . 0.0 109.573 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.912 HD23 ' CE1' ' A' ' 53' ' ' HIS . 0.1 OUTLIER -75.68 -29.79 59.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.304 -179.914 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.627 ' HB2' ' HA ' ' A' ' 58' ' ' ALA . . . -30.48 108.39 0.25 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.567 ' HB2' ' CD2' ' A' ' 82' ' ' PHE . 81.3 Cg_endo -79.32 44.25 1.66 Allowed 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 124.329 3.353 . . . . 0.0 109.612 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.9 ttp85 -157.19 -54.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.312 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.463 HG12 ' OD1' ' A' ' 78' ' ' ASN . 14.3 t -40.82 -42.91 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.481 ' N ' ' OD1' ' A' ' 78' ' ' ASN . 0.2 OUTLIER -100.54 154.0 18.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.5 p -94.67 3.9 54.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.408 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.54 49.81 1.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 50.3 mmt-85 -140.71 157.06 45.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 110.308 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.567 ' CD2' ' HB2' ' A' ' 75' ' ' PRO . 3.7 m-30 44.98 51.11 8.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 91.1 m -81.39 -61.79 1.84 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 110.436 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -87.24 94.07 9.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.341 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.675 ' CG1' HD21 ' A' ' 8' ' ' LEU . 13.7 tt -63.94 -12.7 12.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -76.99 -65.89 0.89 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.252 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.88 58.25 3.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.122 . . . . 0.0 109.292 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -140.77 -39.49 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.348 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.32 -42.7 79.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -69.53 -46.17 67.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.407 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 3.4 mm-40 -55.67 -19.87 12.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.628 ' CZ ' ' CMA' ' A' ' 125' ' ' HEC . 0.2 OUTLIER -83.4 -23.0 32.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.963 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.411 ' OG1' ' CG ' ' A' ' 103' ' ' ASP . 1.0 OUTLIER -92.0 -32.6 15.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.395 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.85 -32.86 63.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.578 1.173 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.566 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.4 t60 -66.13 -58.12 6.14 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.754 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.423 ' C ' ' O ' ' A' ' 102' ' ' ALA . 6.2 m -56.13 -26.15 49.0 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.617 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.462 ' HA ' ' N ' ' A' ' 102' ' ' ALA . 1.8 m-80 -78.0 -13.49 59.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.573 1.171 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -118.54 6.5 11.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.566 HG13 ' CE1' ' A' ' 95' ' ' HIS . 18.3 mm -121.88 -48.2 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.545 HD12 ' SG ' ' A' ' 104' ' ' CYS . 48.0 mt -102.7 -25.26 13.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.814 ' HA3' ' HG3' ' A' ' 42' ' ' PRO . . . 102.91 10.86 36.16 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.527 1.142 . . . . 0.0 110.962 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.462 ' N ' ' HA ' ' A' ' 97' ' ' ASN . . . -166.51 -176.76 3.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.433 0.725 . . . . 0.0 109.311 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.411 ' CG ' ' OG1' ' A' ' 93' ' ' THR . 47.0 t0 -85.19 132.5 34.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.545 ' SG ' HD12 ' A' ' 100' ' ' LEU . 55.9 m -73.9 160.55 31.24 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.6 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.1 m -72.14 141.64 84.01 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.984 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -61.09 -16.41 45.74 Favored 'Trans proline' 0 N--CA 1.446 -1.285 0 C-N-CA 124.342 3.362 . . . . 0.0 109.601 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 60.8 p -89.45 -38.89 13.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.976 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -61.7 -23.08 65.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 110.315 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.454 ' C ' ' N ' ' A' ' 111' ' ' ASN . 36.8 mtmt -88.01 -56.9 3.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.464 ' HB2' ' CB ' ' A' ' 12' ' ' TYR . . . -40.28 -29.44 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.493 ' ND2' ' HB2' ' A' ' 30' ' ' ASP . 6.4 t-20 -79.49 -58.1 3.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.665 ' CE2' HD22 ' A' ' 116' ' ' LEU . 78.9 t80 -46.55 -44.58 18.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.978 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.564 ' O ' HD23 ' A' ' 117' ' ' LEU . 1.3 mt -56.93 -35.94 48.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 117' ' ' LEU . . . -67.35 -67.79 0.43 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.15 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.504 ' CZ ' ' HG2' ' A' ' 32' ' ' LYS . 1.3 t80 -45.02 -31.11 1.2 Allowed 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.796 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.665 HD22 ' CE2' ' A' ' 112' ' ' PHE . 0.4 OUTLIER -73.21 -40.96 64.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.773 HD12 ' O ' ' A' ' 117' ' ' LEU . 1.1 pp -92.31 23.12 4.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.634 HG23 ' O ' ' A' ' 118' ' ' THR . 0.5 OUTLIER -120.49 17.35 12.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.45 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -133.4 119.21 19.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 28.0 p -116.46 29.33 8.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 110.371 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.98 149.97 1.57 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -72.25 167.17 27.6 Favored 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.36 3.373 . . . . 0.0 109.568 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 64.7 m -99.28 -60.24 1.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.376 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 1.6 mtmt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 -179.984 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 125' ' ' HEC . . . . . 0.628 ' CMA' ' CZ ' ' A' ' 92' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.751 ' C ' HG23 ' A' ' 2' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.751 HG23 ' C ' ' A' ' 1' ' ' ASP . 2.9 t 86.73 -41.21 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.249 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.1 m -42.12 -39.38 1.98 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 110.348 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.48 ' HB3' ' CG1' ' A' ' 85' ' ' ILE . 0.2 OUTLIER -81.87 -50.48 9.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.949 ' HB1' HD21 ' A' ' 117' ' ' LEU . . . -51.9 -52.12 52.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -60.67 -35.46 76.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.29 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 11' ' ' LYS . 0.7 OUTLIER -62.63 -50.35 71.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.788 HD11 ' CG1' ' A' ' 88' ' ' VAL . 6.5 mt -52.38 -45.6 65.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.336 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.519 HG22 HG22 ' A' ' 113' ' ' ILE . 82.7 t -58.81 -56.84 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.255 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -69.38 -5.03 20.83 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.813 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 7' ' ' LYS . 19.3 mmtt -97.73 -72.05 0.66 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.353 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.791 ' CB ' ' HB2' ' A' ' 110' ' ' ALA . 74.7 m-85 -52.48 -21.06 3.35 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.859 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.48 ' CG2' ' O ' ' A' ' 24' ' ' GLU . 24.1 m -77.27 -49.86 14.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.38 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.53 -54.99 39.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.7 mt -50.74 -51.77 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.94 -56.83 10.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.406 ' HA ' ' O ' ' A' ' 20' ' ' ASN . 72.6 t60 -59.64 -31.44 69.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.648 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 43.3 t -70.34 -14.16 62.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.017 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -101.48 -40.92 6.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.406 ' O ' ' HA ' ' A' ' 17' ' ' HIS . 1.0 OUTLIER -139.13 126.15 12.88 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.33 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -70.11 -3.27 11.9 Favored 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.282 3.321 . . . . 0.0 109.602 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -82.91 -41.17 19.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -82.81 129.53 35.0 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.818 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.48 ' O ' ' CG2' ' A' ' 13' ' ' THR . 2.7 mt-10 -121.76 -44.1 2.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.272 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.679 ' HB1' ' CD ' ' A' ' 26' ' ' PRO . . . -165.52 176.35 2.03 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.679 ' CD ' ' HB1' ' A' ' 25' ' ' ALA . 13.4 Cg_exo -72.17 173.77 12.45 Favored 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.332 3.354 . . . . 0.0 109.618 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.441 ' C ' ' N ' ' A' ' 29' ' ' THR . 0.1 OUTLIER -145.09 18.46 1.59 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 109.988 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.468 ' C ' ' CE2' ' A' ' 115' ' ' TYR . 24.0 pt 40.21 29.91 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.322 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.573 ' O ' HG22 ' A' ' 29' ' ' THR . 2.0 m -138.94 11.8 2.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 110.365 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.84 -37.32 3.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.456 ' N ' ' OD1' ' A' ' 111' ' ' ASN . . . -77.85 53.6 3.72 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.515 1.134 . . . . 0.0 111.019 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.502 ' HG2' ' CZ ' ' A' ' 115' ' ' TYR . 0.1 OUTLIER -134.51 -65.98 0.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 0.75 . . . . 0.0 109.317 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 43.9 mt -67.39 -28.93 43.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.255 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.446 ' CZ ' ' OE1' ' A' ' 108' ' ' GLU . 45.7 t80 -71.59 -19.05 62.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.968 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.58 ' CD1' ' HB2' ' A' ' 49' ' ' CYS . 81.2 t80 -107.99 7.23 27.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.59 1.181 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 3.7 m-80 -137.32 21.18 2.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.258 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.3 ttt85 -96.96 115.34 27.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.307 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.8 ttmm -71.01 97.68 1.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.418 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 32.1 p90 -106.21 162.74 13.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 111.023 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.424 ' HG2' ' N ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -106.75 137.87 43.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -111.11 149.04 39.92 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.405 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -80.54 45.47 1.99 Allowed 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 124.35 3.367 . . . . 0.0 109.621 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.5 t 179.69 57.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.025 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 151.04 -98.36 0.18 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.491 1.119 . . . . 0.0 111.03 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.522 ' O ' ' C ' ' A' ' 46' ' ' GLU . 0.1 OUTLIER 175.72 172.7 0.32 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 0.754 . . . . 0.0 109.311 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.522 ' C ' ' O ' ' A' ' 45' ' ' LYS . 0.2 OUTLIER -28.14 136.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.295 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -149.07 -170.2 3.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.432 ' O ' HMC3 ' A' ' 125' ' ' HEC . . . -171.87 148.64 2.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.259 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.58 ' HB2' ' CD1' ' A' ' 35' ' ' PHE . 33.6 m -62.25 -15.3 46.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 108.293 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.433 ' HA ' ' O ' ' A' ' 54' ' ' THR . . . -98.6 4.08 48.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 109.34 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.481 ' OG ' ' CMC' ' A' ' 125' ' ' HEC . 83.7 p -75.77 -27.26 57.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 109.995 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 65.6 m -120.18 -47.09 2.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.163 . . . . 0.0 108.324 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.511 ' O ' ' OG1' ' A' ' 54' ' ' THR . 65.4 m-70 -84.22 14.62 4.14 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.76 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.511 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 45.6 p 50.06 172.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 110.369 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -52.41 -23.38 5.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.246 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -133.33 128.49 20.32 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.503 ' CB ' HD23 ' A' ' 73' ' ' LEU . 83.6 Cg_endo -72.81 -40.67 1.8 Allowed 'Trans proline' 0 N--CA 1.448 -1.169 0 C-N-CA 124.317 3.345 . . . . 0.0 109.585 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.418 ' HA ' ' HB2' ' A' ' 74' ' ' ALA . . . -57.63 -16.61 11.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 109.305 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.559 ' ND2' ' OXT' ' A' ' 124' ' ' LYS . 12.6 t-20 -88.98 173.83 8.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.1 t -75.71 118.94 22.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.456 ' HA2' HG23 ' A' ' 54' ' ' THR . . . -89.5 -174.53 46.0 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.487 1.117 . . . . 0.0 111.036 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -161.39 135.63 6.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 0.754 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.943 ' ND2' HD11 ' A' ' 70' ' ' ILE . 87.2 m-20 -86.5 129.57 34.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 7.5 pt -83.42 5.91 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 71.0 t -86.24 -55.02 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.344 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 67.7 p -108.01 -33.31 7.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.105 . . . . 0.0 110.39 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 81.07 36.97 20.13 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.7 -95.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.771 . . . . 0.0 109.338 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -178.62 122.86 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.332 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.943 HD11 ' ND2' ' A' ' 63' ' ' ASN . 3.0 mm -108.42 107.12 59.86 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.415 ' HB3' ' HD2' ' A' ' 72' ' ' PRO . 77.8 Cg_exo -49.84 165.76 0.29 Allowed 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 124.282 3.322 . . . . 0.0 109.651 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.439 ' O ' ' ND2' ' A' ' 78' ' ' ASN . 1.4 Cg_endo -42.47 126.69 4.09 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.337 3.358 . . . . 0.0 109.575 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.503 HD23 ' CB ' ' A' ' 57' ' ' PRO . 7.4 tp -76.89 -31.49 56.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.629 ' HB3' ' HB ' ' A' ' 77' ' ' VAL . . . -37.98 98.28 0.16 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.604 ' HB3' ' CD1' ' A' ' 82' ' ' PHE . 24.0 Cg_exo -63.3 -15.97 51.57 Favored 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.378 3.385 . . . . 0.0 109.603 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.491 ' NH1' HG21 ' A' ' 120' ' ' THR . 5.6 ttt180 -96.92 -44.36 7.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.321 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.629 ' HB ' ' HB3' ' A' ' 74' ' ' ALA . 41.5 t -54.85 -40.51 52.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 72' ' ' PRO . 0.5 OUTLIER -93.86 136.49 34.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.279 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.3 p -84.79 -3.61 58.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.374 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 11.9 mttm -111.15 43.75 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.248 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.473 ' CB ' ' HA ' ' A' ' 75' ' ' PRO . 46.6 mmt-85 -144.65 170.38 16.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.293 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.604 ' CD1' ' HB3' ' A' ' 75' ' ' PRO . 1.9 m-30 37.92 68.54 0.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 11.7 m -108.32 -68.44 0.91 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.443 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 52.9 t0 -76.64 114.47 15.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.48 ' CG1' ' HB3' ' A' ' 4' ' ' ASN . 9.3 mt -61.93 -41.63 91.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.56 -70.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 88' ' ' VAL . 7.5 tttt -45.6 -66.61 0.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.788 ' CG1' HD11 ' A' ' 8' ' ' LEU . 0.9 OUTLIER -37.86 -41.04 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.317 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -98.85 72.3 1.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.317 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -174.46 -68.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.348 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.495 ' HG3' ' N ' ' A' ' 92' ' ' PHE . 7.0 pt-20 -57.44 -36.67 71.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.594 ' CZ ' ' CMA' ' A' ' 125' ' ' HEC . 0.1 OUTLIER -47.1 -32.85 4.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.671 HG23 ' CG ' ' A' ' 103' ' ' ASP . 0.9 OUTLIER -85.0 -44.62 12.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.411 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.12 -23.1 66.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.461 ' O ' ' CG1' ' A' ' 99' ' ' ILE . 1.9 t60 -68.98 -56.73 6.89 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.784 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 21.0 m -62.2 -30.52 71.14 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.331 -0.85 . . . . 0.0 109.571 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -76.86 -16.74 59.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -119.5 15.9 12.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.461 ' CG1' ' O ' ' A' ' 95' ' ' HIS . 7.0 mm -131.76 -44.95 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.5 mt -103.77 -36.97 7.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 111.21 18.53 8.12 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.508 1.13 . . . . 0.0 110.969 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -163.85 -176.48 4.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 0.789 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.671 ' CG ' HG23 ' A' ' 93' ' ' THR . 2.3 t0 -97.25 109.11 21.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.409 ' O ' ' O ' ' A' ' 103' ' ' ASP . 6.1 m -43.41 164.91 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.59 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.462 ' O ' ' HG3' ' A' ' 108' ' ' GLU . 10.4 p -84.13 153.24 62.88 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.997 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.402 ' HD2' ' HB2' ' A' ' 105' ' ' SER . 43.1 Cg_endo -69.69 -8.96 24.95 Favored 'Trans proline' 0 N--CA 1.446 -1.278 0 C-N-CA 124.328 3.352 . . . . 0.0 109.615 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 60.5 p -93.46 -46.45 7.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 0.0 109.99 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.47 ' CD ' ' C ' ' A' ' 108' ' ' GLU . 1.6 pp20? -64.8 -19.71 65.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.3 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.547 ' HD2' ' CD1' ' A' ' 92' ' ' PHE . 2.8 tppp? -75.8 -62.88 1.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.791 ' HB2' ' CB ' ' A' ' 12' ' ' TYR . . . -51.3 -26.09 6.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.456 ' OD1' ' N ' ' A' ' 31' ' ' GLY . 5.7 t-20 -72.14 -64.13 1.0 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.334 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.867 ' CE2' HD11 ' A' ' 116' ' ' LEU . 89.5 t80 -43.67 -45.65 7.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 110.959 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.519 HG22 HG22 ' A' ' 9' ' ' VAL . 1.9 mt -55.48 -42.07 66.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 116' ' ' LEU . . . -60.13 -73.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.502 ' CZ ' ' HG2' ' A' ' 32' ' ' LYS . 0.2 OUTLIER -39.55 -29.02 0.05 OUTLIER 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.047 -0.979 . . . . 0.0 109.841 -179.938 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.867 HD11 ' CE2' ' A' ' 112' ' ' PHE . 13.8 mt -76.24 -51.51 11.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.949 HD21 ' HB1' ' A' ' 5' ' ' ALA . 11.8 mt -64.83 -19.95 66.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -85.66 -27.66 25.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 110.42 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -85.48 98.63 10.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.328 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.491 HG21 ' NH1' ' A' ' 76' ' ' ARG . 16.8 p -122.7 5.42 9.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.382 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -131.66 96.88 19.91 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -47.49 175.02 0.02 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.316 3.344 . . . . 0.0 109.581 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 19.9 p -139.64 49.02 1.81 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.412 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.559 ' OXT' ' ND2' ' A' ' 59' ' ' ASN . 2.8 mtpm? . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 109.29 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' HEC . . . . . 0.747 HBB3 HMB1 ' A' ' 125' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.2 t0 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.483 ' HA ' ' HB3' ' A' ' 5' ' ' ALA . 54.7 t -60.2 -39.03 79.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.1 m -38.54 -48.77 1.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.345 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.712 ' CG ' HD11 ' A' ' 85' ' ' ILE . 0.5 OUTLIER -75.4 -46.1 34.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.483 ' HB3' ' HA ' ' A' ' 2' ' ' VAL . . . -49.81 -47.87 51.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -66.89 -32.15 73.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 110.336 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.54 -46.57 72.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 0.0 109.256 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.415 HD11 HG11 ' A' ' 88' ' ' VAL . 6.9 mt -55.39 -49.31 72.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.261 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.51 HG21 HD21 ' A' ' 117' ' ' LEU . 73.5 t -57.01 -51.02 74.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -71.33 -3.32 20.01 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.791 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -102.14 -73.4 0.66 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.832 ' HB2' ' HB2' ' A' ' 110' ' ' ALA . 81.7 m-85 -48.77 -22.79 0.87 Allowed 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.855 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.437 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 48.2 m -77.61 -50.62 12.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.38 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -59.89 -54.09 50.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.0 mt -49.02 -48.95 16.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.19 -51.06 71.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.447 ' ND1' ' O ' ' A' ' 23' ' ' TYR . 72.4 t60 -58.01 -29.32 65.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.595 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 28.0 t -71.07 -23.67 62.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.0 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -87.92 -37.98 15.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -140.33 129.17 13.14 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -84.87 40.82 0.87 Allowed 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 124.303 3.335 . . . . 0.0 109.627 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.4 ptt? -141.39 32.56 1.69 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 111.037 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.447 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 77.8 t80 -153.11 111.76 3.71 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.849 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -93.15 -47.98 6.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 0.0 110.345 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.662 ' HB1' ' CD ' ' A' ' 26' ' ' PRO . . . -165.35 175.83 2.28 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.662 ' CD ' ' HB1' ' A' ' 25' ' ' ALA . 16.8 Cg_exo -70.83 -174.04 1.02 Allowed 'Trans proline' 0 N--CA 1.447 -1.255 0 C-N-CA 124.336 3.357 . . . . 0.0 109.609 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.48 20.35 0.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.954 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.689 HG21 HG21 ' A' ' 118' ' ' THR . 31.4 pt 41.76 49.1 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.416 ' O ' HG22 ' A' ' 29' ' ' THR . 89.0 m -151.94 35.82 0.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.117 . . . . 0.0 110.335 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -142.24 -47.12 0.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.354 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -49.35 -23.75 4.6 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 111.035 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.424 ' HD2' ' N ' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -74.94 -42.05 58.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 0.751 . . . . 0.0 109.319 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.596 HG23 ' O ' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -88.26 7.83 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.513 ' CG ' ' O ' ' A' ' 34' ' ' PHE . 80.0 t80 -126.47 31.23 5.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.569 ' CD1' ' HB2' ' A' ' 49' ' ' CYS . 34.2 t80 -146.46 -40.66 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -100.76 -5.23 26.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.42 ' HD2' HD12 ' A' ' 33' ' ' ILE . 22.3 ttt85 -68.15 96.48 0.64 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -55.41 100.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.575 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 29.0 p90 -106.26 162.25 13.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 110.965 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.6 ttmt -103.59 153.44 20.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 43.6 p -107.97 153.46 41.67 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 110.429 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.787 ' HG3' ' HA3' ' A' ' 101' ' ' GLY . 64.0 Cg_endo -65.13 -7.84 16.68 Favored 'Trans proline' 0 N--CA 1.447 -1.259 0 C-N-CA 124.342 3.361 . . . . 0.0 109.625 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 p -104.15 32.75 3.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 110.003 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 38.48 78.57 0.05 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.455 1.097 . . . . 0.0 111.021 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.6 tttp -179.84 88.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 0.781 . . . . 0.0 109.266 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.67 153.51 0.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -160.93 -169.26 2.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.575 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -172.82 157.5 3.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.569 ' HB2' ' CD1' ' A' ' 35' ' ' PHE . 49.5 m -72.93 -10.34 59.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 108.31 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.444 ' HA ' ' O ' ' A' ' 54' ' ' THR . . . -102.27 1.69 36.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.401 ' HB2' ' O ' ' A' ' 48' ' ' ALA . 0.4 OUTLIER -81.73 -15.27 54.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.99 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 26.4 m -128.61 -48.01 1.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 108.261 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.494 ' O ' ' O ' ' A' ' 54' ' ' THR . 84.3 m-70 -89.76 17.82 6.2 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.761 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.573 HG23 ' HA2' ' A' ' 61' ' ' GLY . 66.2 p 49.39 172.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 110.362 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -56.78 -24.08 47.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.107 . . . . 0.0 109.269 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -131.65 126.94 21.26 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.367 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -71.32 -41.66 2.36 Favored 'Trans proline' 0 N--CA 1.447 -1.237 0 C-N-CA 124.281 3.321 . . . . 0.0 109.641 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.23 -17.37 7.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.271 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -89.42 172.91 8.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.703 HG22 ' HD3' ' A' ' 72' ' ' PRO . 74.1 t -76.07 121.8 28.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.573 ' HA2' HG23 ' A' ' 54' ' ' THR . . . -88.97 -173.6 46.59 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.507 1.129 . . . . 0.0 111.002 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.7 ttmt -163.96 135.08 4.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 0.792 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.881 ' ND2' HD11 ' A' ' 70' ' ' ILE . 90.4 m-20 -86.61 130.12 34.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.6 pt -84.56 6.22 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 58.8 t -87.43 -53.52 9.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.268 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 71.1 p -108.99 -33.34 6.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 110.428 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 80.86 35.6 24.4 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.467 1.104 . . . . 0.0 111.025 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.406 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 2.4 mmtp -81.35 -95.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 0.772 . . . . 0.0 109.244 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.406 ' HB3' ' O ' ' A' ' 68' ' ' LYS . 12.0 pt-20 -179.95 123.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.881 HD11 ' ND2' ' A' ' 63' ' ' ASN . 1.8 mm -114.78 92.26 29.1 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.404 ' HD3' ' O ' ' A' ' 69' ' ' GLU . 75.1 Cg_exo -45.73 164.82 0.07 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.321 3.347 . . . . 0.0 109.607 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.703 ' HD3' HG22 ' A' ' 60' ' ' VAL . 75.0 Cg_exo -34.2 134.41 0.13 Allowed 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.319 3.346 . . . . 0.0 109.626 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.51 ' CD1' ' O1D' ' A' ' 125' ' ' HEC . 7.1 tp -98.56 -26.56 14.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 73' ' ' LEU . . . -35.88 115.67 0.6 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.567 ' HB2' ' CD2' ' A' ' 82' ' ' PHE . 72.2 Cg_endo -80.32 45.26 1.92 Allowed 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.299 3.333 . . . . 0.0 109.594 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 10.7 ttt180 -154.37 -57.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 110.26 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.48 HG12 ' OD1' ' A' ' 78' ' ' ASN . 18.9 t -44.85 -41.07 2.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.48 ' OD1' HG12 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -103.72 141.77 35.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 16.9 p -85.07 -0.49 54.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.434 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.48 43.8 1.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.259 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 38.6 mmt-85 -142.73 162.41 35.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.567 ' CD2' ' HB2' ' A' ' 75' ' ' PRO . 2.1 m-30 39.08 57.81 1.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 111.034 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.729 HG22 ' O ' ' A' ' 83' ' ' THR . 1.7 m -129.62 54.62 1.82 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.372 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.435 ' C ' ' N ' ' A' ' 86' ' ' ASP . 39.9 p-10 177.31 66.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.712 HD11 ' CG ' ' A' ' 4' ' ' ASN . 4.3 mp -40.28 -30.07 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.435 ' N ' ' C ' ' A' ' 84' ' ' ASP . 0.6 OUTLIER -54.95 -69.98 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.9 mttp -75.95 66.31 2.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.333 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.415 HG11 HD11 ' A' ' 8' ' ' LEU . 1.1 t -150.76 -49.85 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.39 59.97 0.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.315 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 170.22 -45.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.265 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -58.43 -16.36 14.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.707 ' CZ ' ' CMA' ' A' ' 125' ' ' HEC . 0.2 OUTLIER -91.86 -23.14 19.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.997 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.492 ' CG2' ' OD2' ' A' ' 103' ' ' ASP . 1.0 OUTLIER -90.0 -36.67 14.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.432 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt -70.55 -28.82 65.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.477 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.2 t60 -70.88 -59.33 2.85 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.768 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.4 ' C ' ' O ' ' A' ' 102' ' ' ALA . 10.1 m -55.85 -22.23 24.04 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.342 -0.844 . . . . 0.0 109.619 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -83.62 -11.07 57.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.467 ' O ' HD13 ' A' ' 99' ' ' ILE . 0.5 OUTLIER -120.78 9.19 10.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.477 HG13 ' CE1' ' A' ' 95' ' ' HIS . 45.8 mm -125.64 -44.43 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.419 ' O ' ' HD3' ' A' ' 42' ' ' PRO . 50.3 mt -105.2 -29.21 10.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.787 ' HA3' ' HG3' ' A' ' 42' ' ' PRO . . . 103.64 13.94 26.66 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.118 . . . . 0.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 96' ' ' CYS . . . -164.09 -176.69 4.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 0.755 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.492 ' OD2' ' CG2' ' A' ' 93' ' ' THR . 28.9 t0 -90.95 125.52 35.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 25.3 m -62.31 160.52 13.08 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.583 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.0 m -74.78 145.62 81.87 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.477 1.111 . . . . 0.0 109.974 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -60.48 -17.58 48.9 Favored 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 124.32 3.347 . . . . 0.0 109.585 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 78.3 p -86.78 -40.62 14.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.982 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -70.17 -8.18 47.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.345 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.662 ' O ' HD12 ' A' ' 113' ' ' ILE . 0.1 OUTLIER -83.38 -60.54 2.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.832 ' HB2' ' HB2' ' A' ' 12' ' ' TYR . . . -55.62 -34.15 64.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -57.35 -64.39 0.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.655 ' CE2' HD11 ' A' ' 116' ' ' LEU . 70.8 t80 -49.8 -43.22 48.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.662 HD12 ' O ' ' A' ' 109' ' ' LYS . 1.7 mt -56.29 -38.68 56.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 117' ' ' LEU . . . -66.22 -68.5 0.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.417 ' CZ ' ' HB3' ' A' ' 32' ' ' LYS . 0.3 OUTLIER -44.58 -34.56 2.19 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.021 -0.991 . . . . 0.0 109.832 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.655 HD11 ' CE2' ' A' ' 112' ' ' PHE . 7.9 mt -70.78 -41.86 71.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.886 HD12 ' O ' ' A' ' 117' ' ' LEU . 1.1 pp -90.78 17.69 7.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.689 HG21 HG21 ' A' ' 28' ' ' ILE . 23.2 m -129.14 -76.89 0.55 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.4 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -91.78 75.22 5.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.281 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.409 ' HG1' HG23 ' A' ' 77' ' ' VAL . 0.1 OUTLIER -125.12 64.83 1.14 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 110.36 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -132.77 146.93 63.45 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -81.28 166.01 18.54 Favored 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.318 3.346 . . . . 0.0 109.596 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 3.0 m -107.77 -63.14 1.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 110.445 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.33 -179.99 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 125' ' ' HEC . . . . . 0.707 ' CMA' ' CZ ' ' A' ' 92' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.493 HG13 ' NH2' ' A' ' 76' ' ' ARG . 54.4 t -51.94 -46.23 41.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.9 m -47.95 -28.52 2.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.1 . . . . 0.0 110.438 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.937 ' HB3' HD12 ' A' ' 85' ' ' ILE . 5.2 m-20 -90.42 -54.98 3.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.921 ' HB1' HD21 ' A' ' 117' ' ' LEU . . . -49.36 -51.03 37.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.7 tp10 -52.58 -40.88 63.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 110.272 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.417 ' HD2' ' N ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -62.7 -54.24 42.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.28 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.455 ' HG ' HD11 ' A' ' 85' ' ' ILE . 11.5 mt -47.93 -39.81 20.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 5' ' ' ALA . 44.4 t -67.02 -49.56 72.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -71.51 -2.7 17.75 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.835 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.8 mptt -104.71 -75.79 0.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.528 ' CB ' ' HB2' ' A' ' 110' ' ' ALA . 59.5 m-85 -45.35 -25.15 0.36 Allowed 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.843 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.443 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 54.1 m -74.94 -55.46 5.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.347 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -54.55 -56.51 18.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.7 mt -47.48 -50.95 7.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.18 -48.54 78.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.448 ' ND1' ' O ' ' A' ' 23' ' ' TYR . 74.2 t60 -62.11 -31.39 71.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.592 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 37.6 t -70.34 -20.47 62.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.004 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -97.31 -33.68 11.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.401 ' O ' ' HA ' ' A' ' 17' ' ' HIS . 0.7 OUTLIER -138.0 115.42 9.42 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -77.89 41.88 1.08 Allowed 'Trans proline' 0 N--CA 1.448 -1.178 0 C-N-CA 124.284 3.322 . . . . 0.0 109.61 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 9.5 ptm -144.49 33.02 1.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 111.021 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.448 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 72.7 t80 -152.6 114.96 4.46 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 114.953 -1.021 . . . . 0.0 109.825 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -95.75 -48.65 5.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.313 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.687 ' HB1' ' CD ' ' A' ' 26' ' ' PRO . . . -160.76 176.8 2.33 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.425 1.078 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.687 ' CD ' ' HB1' ' A' ' 25' ' ' ALA . 24.6 Cg_exo -68.04 167.22 22.31 Favored 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.37 3.38 . . . . 0.0 109.606 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.412 ' O ' ' CG1' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -132.45 13.64 4.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.954 -179.924 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.412 ' CG1' ' O ' ' A' ' 27' ' ' SER . 46.2 pt 44.7 56.61 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 52.0 m -140.46 -53.51 0.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.407 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -64.61 -27.12 68.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.152 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.533 ' HA3' ' CD2' ' A' ' 115' ' ' TYR . . . -70.5 57.95 0.91 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.468 1.105 . . . . 0.0 110.987 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.505 ' HG2' ' CZ ' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -156.01 -64.64 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 0.756 . . . . 0.0 109.298 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 55.6 mt -63.62 -52.17 60.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -54.34 -20.59 7.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 111.012 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.427 ' O ' ' OD1' ' A' ' 36' ' ' ASN . 82.1 t80 -108.13 5.77 26.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 110.966 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.427 ' OD1' ' O ' ' A' ' 35' ' ' PHE . 84.2 m-20 -143.81 27.57 1.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -107.8 94.86 5.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.279 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.4 ttpp -49.49 94.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.567 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 24.4 p90 -98.49 164.5 12.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 67.6 tttt -107.42 140.68 39.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.418 ' HB ' ' HD2' ' A' ' 42' ' ' PRO . 19.4 p -97.36 154.24 38.11 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.378 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.778 ' HG3' ' HA3' ' A' ' 101' ' ' GLY . 58.6 Cg_endo -63.96 -7.62 13.81 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.332 3.355 . . . . 0.0 109.556 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 44' ' ' GLY . 1.1 p -105.31 32.42 4.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.035 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 43' ' ' SER . . . 37.7 81.68 0.02 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 179.53 82.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 0.746 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -41.68 153.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -164.36 -176.04 4.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.567 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -162.09 155.95 21.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.511 ' O ' ' HB2' ' A' ' 53' ' ' HIS . 85.8 m -69.8 -9.48 54.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 108.302 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.549 ' HB1' ' HA ' ' A' ' 55' ' ' ASN . . . -110.44 10.51 23.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.58 -40.28 56.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.995 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 43.4 m -109.57 -32.77 7.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 108.296 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.512 ' O ' ' OG1' ' A' ' 54' ' ' THR . 70.7 m-70 -94.26 13.7 22.62 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.785 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.537 ' C ' ' HB1' ' A' ' 50' ' ' ALA . 47.7 p 50.2 172.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.112 . . . . 0.0 110.388 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.549 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 1.4 p-10 -59.25 -18.05 33.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -131.2 126.27 21.38 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.494 ' CG ' ' OE2' ' A' ' 119' ' ' GLU . 73.0 Cg_endo -71.7 -48.21 0.42 Allowed 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.271 3.314 . . . . 0.0 109.652 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.403 ' HA ' ' HB2' ' A' ' 74' ' ' ALA . . . -53.16 -19.72 3.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -84.41 178.28 7.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 38.5 t -79.03 153.35 4.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -127.97 -174.98 13.91 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.486 1.116 . . . . 0.0 110.982 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -176.72 132.53 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 0.765 . . . . 0.0 109.255 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -80.45 136.49 36.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.0 pt -88.69 12.45 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 109.272 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 55.9 t -92.67 -54.78 6.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 72.5 p -102.74 -30.81 10.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.39 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 85.63 43.55 6.44 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.488 1.117 . . . . 0.0 111.028 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.61 -169.17 2.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.55 0.794 . . . . 0.0 109.35 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -121.09 98.83 6.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.276 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.573 HG23 ' HD2' ' A' ' 71' ' ' PRO . 3.8 mm -83.22 135.46 44.42 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.573 ' HD2' HG23 ' A' ' 70' ' ' ILE . 72.9 Cg_endo -76.81 170.13 20.42 Favored 'Trans proline' 0 N--CA 1.448 -1.175 0 C-N-CA 124.271 3.314 . . . . 0.0 109.593 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.471 ' HD2' ' CB ' ' A' ' 71' ' ' PRO . 6.1 Cg_endo -46.07 131.13 13.96 Favored 'Trans proline' 0 N--CA 1.447 -1.26 0 C-N-CA 124.261 3.307 . . . . 0.0 109.64 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.455 ' O ' ' C ' ' A' ' 74' ' ' ALA . 9.1 tp -86.86 -27.89 23.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.341 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.455 ' C ' ' O ' ' A' ' 73' ' ' LEU . . . -36.5 114.58 0.62 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.684 ' HG3' HD23 ' A' ' 116' ' ' LEU . 84.2 Cg_endo -79.48 47.76 2.62 Favored 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.319 3.346 . . . . 0.0 109.626 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.664 ' CZ ' HD22 ' A' ' 117' ' ' LEU . 13.7 ttm180 -159.73 -58.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.256 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 31.4 t -42.58 -42.39 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.269 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.507 ' OD1' ' N ' ' A' ' 78' ' ' ASN . 0.4 OUTLIER -118.92 114.25 22.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 19.4 p -58.25 -16.37 13.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.42 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.5 mmpt? -64.53 -21.62 66.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.443 ' CB ' ' HA ' ' A' ' 75' ' ' PRO . 19.0 mmt-85 -80.1 159.53 26.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.659 ' CD2' ' HB2' ' A' ' 75' ' ' PRO . 5.8 m-30 45.75 57.79 4.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.986 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 44.5 m -79.71 -63.87 1.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.467 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -90.52 102.94 15.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.937 HD12 ' HB3' ' A' ' 4' ' ' ASN . 6.4 tt -71.79 -5.0 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -89.01 -37.49 15.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.137 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 89' ' ' GLU . 13.7 mttt -86.33 -57.19 3.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.447 HG21 ' CD1' ' A' ' 82' ' ' PHE . 0.4 OUTLIER -39.88 -30.01 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 87' ' ' LYS . 30.5 mt-10 -72.06 -54.73 8.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.57 1.168 . . . . 0.0 110.325 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -65.23 -49.87 68.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -48.16 -44.16 32.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.343 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.708 ' CZ ' ' CMA' ' A' ' 125' ' ' HEC . 0.1 OUTLIER -56.86 -27.11 59.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 111.017 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.431 HG23 ' CG ' ' A' ' 103' ' ' ASP . 1.1 m -88.22 -36.9 16.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.44 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.21 -25.58 59.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.464 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.4 t60 -70.25 -59.97 2.56 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.78 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.427 ' C ' ' O ' ' A' ' 102' ' ' ALA . 3.7 m -56.15 -21.62 23.82 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.564 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -84.7 -12.82 53.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.06 6.38 11.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.464 HG13 ' CE1' ' A' ' 95' ' ' HIS . 46.3 mm -122.22 -49.03 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.718 HD12 ' SG ' ' A' ' 104' ' ' CYS . 64.5 mt -99.53 -32.15 11.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.778 ' HA3' ' HG3' ' A' ' 42' ' ' PRO . . . 107.11 14.93 17.45 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.461 1.101 . . . . 0.0 110.956 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.427 ' O ' ' C ' ' A' ' 96' ' ' CYS . . . -167.39 -170.85 1.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 0.78 . . . . 0.0 109.285 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.431 ' CG ' HG23 ' A' ' 93' ' ' THR . 9.1 t0 -95.3 121.09 36.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.718 ' SG ' HD12 ' A' ' 100' ' ' LEU . 64.1 m -60.92 161.74 7.84 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.562 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.476 ' OG ' ' CG ' ' A' ' 108' ' ' GLU . 53.2 p -77.48 143.31 68.13 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.975 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -59.41 -15.23 28.84 Favored 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.323 3.349 . . . . 0.0 109.614 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 79.6 p -85.16 -43.83 13.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.986 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.476 ' CG ' ' OG ' ' A' ' 105' ' ' SER . 2.7 mm-40 -69.04 -8.78 48.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 110.349 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.544 ' HD2' ' CG ' ' A' ' 92' ' ' PHE . 2.5 tppt? -88.16 -65.69 0.99 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.528 ' HB2' ' CB ' ' A' ' 12' ' ' TYR . . . -49.91 -22.04 1.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.413 ' N ' ' C ' ' A' ' 109' ' ' LYS . 0.2 OUTLIER -76.77 -53.91 7.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -56.85 -44.95 82.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 111.025 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.598 HG22 HG22 ' A' ' 9' ' ' VAL . 1.5 mt -56.38 -42.03 73.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.428 ' HB2' ' HG2' ' A' ' 26' ' ' PRO . . . -57.93 -76.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.533 ' CD2' ' HA3' ' A' ' 31' ' ' GLY . 0.2 OUTLIER -36.87 -42.12 0.37 Allowed 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.869 -179.913 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.684 HD23 ' HG3' ' A' ' 75' ' ' PRO . 1.8 mp -61.12 -60.99 2.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.921 HD21 ' HB1' ' A' ' 5' ' ' ALA . 55.5 mt -51.15 -33.77 28.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.478 HG22 ' N ' ' A' ' 119' ' ' GLU . 0.7 OUTLIER -71.8 -59.4 2.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 110.426 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.494 ' OE2' ' CG ' ' A' ' 57' ' ' PRO . 4.1 pt-20 -70.94 124.35 24.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 110.282 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 69.2 p -147.63 49.49 1.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.392 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.01 132.39 0.41 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.251 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -44.87 168.45 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 124.325 3.35 . . . . 0.0 109.583 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 3.8 m -116.91 -63.17 1.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.393 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' HEC . . . . . 0.708 ' CMA' ' CZ ' ' A' ' 92' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.768 ' O ' HG23 ' A' ' 2' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.768 HG23 ' O ' ' A' ' 1' ' ' ASP . 24.2 t -162.06 -66.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.431 1.082 . . . . 0.0 109.356 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.1 m -58.48 -33.11 69.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 110.4 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.42 ' O ' ' N ' ' A' ' 7' ' ' LYS . 4.7 m-20 -90.8 -56.1 3.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.259 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.517 ' O ' HG23 ' A' ' 9' ' ' VAL . . . -46.27 -39.86 10.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.143 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -65.14 -37.91 88.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.281 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 4' ' ' ASN . 0.0 OUTLIER -60.91 -53.58 55.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.157 . . . . 0.0 109.35 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.534 HD13 ' HE2' ' A' ' 12' ' ' TYR . 5.8 mt -49.29 -51.48 33.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.569 HG21 HD21 ' A' ' 117' ' ' LEU . 87.3 t -54.71 -52.57 40.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 18.5 t80 -72.51 0.65 9.81 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.82 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -105.46 -74.45 0.65 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.82 ' CB ' ' HB2' ' A' ' 110' ' ' ALA . 94.8 m-85 -49.4 -24.64 2.04 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.847 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.459 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 52.3 m -74.66 -47.7 30.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.394 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 53.6 t-20 -58.3 -52.95 63.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.2 mt -52.42 -48.68 45.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.43 -41.5 89.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.487 ' ND1' ' O ' ' A' ' 23' ' ' TYR . 15.9 t60 -67.67 -31.58 71.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.609 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 46.5 t -66.39 -24.43 66.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.99 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.24 -36.27 13.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.288 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.433 ' O ' ' HA ' ' A' ' 17' ' ' HIS . 11.5 t-20 -135.27 118.78 12.98 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.26 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -81.64 40.56 1.0 Allowed 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 124.286 3.324 . . . . 0.0 109.618 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.7 mtt -145.28 37.57 1.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 110.983 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.487 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 55.7 t80 -147.42 120.32 8.73 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.821 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -100.16 -45.86 5.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 110.285 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.681 ' HB1' ' CD ' ' A' ' 26' ' ' PRO . . . -168.36 176.42 1.53 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.085 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.681 ' CD ' ' HB1' ' A' ' 25' ' ' ALA . 17.2 Cg_exo -70.46 179.85 3.76 Favored 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 124.315 3.343 . . . . 0.0 109.606 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -135.49 22.94 3.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.978 -179.881 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.428 ' C ' ' O ' ' A' ' 27' ' ' SER . 16.8 pt 37.43 45.17 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.713 ' O ' HG22 ' A' ' 29' ' ' THR . 3.4 m -162.11 33.52 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.403 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.486 ' HB3' ' ND2' ' A' ' 111' ' ' ASN . 7.2 t70 -133.3 -46.75 0.83 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.442 ' O ' ' CB ' ' A' ' 35' ' ' PHE . . . -50.57 -37.6 33.79 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.449 1.093 . . . . 0.0 110.964 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.566 ' HG2' ' CE1' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -51.48 -69.59 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 0.766 . . . . 0.0 109.315 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.409 HG23 ' HD2' ' A' ' 37' ' ' ARG . 29.7 mt -48.55 -57.89 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.558 ' CZ ' ' OE2' ' A' ' 108' ' ' GLU . 20.2 t80 -53.68 -20.57 5.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.96 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.556 ' CE2' ' HD3' ' A' ' 57' ' ' PRO . 85.7 t80 -108.33 5.37 25.46 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 32' ' ' LYS . 4.6 m120 -142.21 25.59 1.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 39' ' ' PHE . 2.9 tpm_? -107.54 96.7 6.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.334 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.7 ttpt -49.66 94.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.512 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 25.3 p90 -98.91 165.32 11.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.987 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -105.59 143.71 33.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.454 HG23 ' O ' ' A' ' 45' ' ' LYS . 43.3 p -97.88 153.95 38.0 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.359 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.866 ' HG3' ' HA3' ' A' ' 101' ' ' GLY . 72.2 Cg_endo -67.4 -4.54 12.05 Favored 'Trans proline' 0 N--CA 1.448 -1.2 0 C-N-CA 124.275 3.317 . . . . 0.0 109.629 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 p -107.28 31.03 5.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.021 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.403 ' O ' ' CB ' ' A' ' 45' ' ' LYS . . . 46.33 82.81 0.03 OUTLIER Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.5 1.125 . . . . 0.0 110.966 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.454 ' O ' HG23 ' A' ' 41' ' ' THR . 2.6 tttt 170.95 111.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 0.792 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.47 154.2 41.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -163.96 176.98 8.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.512 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -154.68 151.63 28.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.532 ' HB2' ' CD1' ' A' ' 35' ' ' PHE . 56.4 m -64.08 -14.75 56.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 108.328 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.451 ' HA ' ' O ' ' A' ' 54' ' ' THR . . . -100.6 5.2 43.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.443 ' OG ' ' CMC' ' A' ' 125' ' ' HEC . 84.3 p -74.08 -30.67 62.47 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.431 1.082 . . . . 0.0 110.026 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 57.7 m -116.99 -43.91 2.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 108.284 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.508 ' O ' ' OG1' ' A' ' 54' ' ' THR . 65.8 m-70 -85.7 15.03 5.03 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.754 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.508 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 39.4 p 49.98 174.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 110.353 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.435 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 5.1 p30 -56.16 -25.3 46.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -128.53 122.64 21.86 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.145 . . . . 0.0 109.345 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.888 ' HB3' HD23 ' A' ' 73' ' ' LEU . 55.4 Cg_endo -68.84 -43.78 3.31 Favored 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.322 3.348 . . . . 0.0 109.557 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.44 -18.37 2.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.404 ' N ' ' C ' ' A' ' 57' ' ' PRO . 9.6 t-20 -85.49 -178.83 6.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 25.5 t -85.32 115.76 27.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 70' ' ' ILE . . . -76.91 -164.39 20.27 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.449 1.093 . . . . 0.0 111.007 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.481 ' CG ' ' O ' ' A' ' 68' ' ' LYS . 0.1 OUTLIER -175.54 118.79 0.17 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 0.754 . . . . 0.0 109.331 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.557 ' ND2' HD11 ' A' ' 70' ' ' ILE . 90.3 m-20 -71.02 126.69 30.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 10.8 pt -79.13 1.77 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 94.6 t -79.64 -51.3 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.337 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 70.1 p -108.96 -29.55 8.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.379 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 87.04 44.02 5.8 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.479 1.112 . . . . 0.0 111.012 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.481 ' O ' ' CG ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -98.28 -159.95 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.765 . . . . 0.0 109.307 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.445 ' N ' ' CD ' ' A' ' 69' ' ' GLU . 1.3 pm0 -125.69 105.28 8.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.282 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.613 HD12 ' O1D' ' A' ' 125' ' ' HEC . 2.1 mm -86.72 115.48 62.52 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -47.63 166.08 0.11 Allowed 'Trans proline' 0 N--CA 1.446 -1.27 0 C-N-CA 124.314 3.343 . . . . 0.0 109.589 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_exo -38.86 131.7 1.2 Allowed 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.292 3.328 . . . . 0.0 109.589 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.888 HD23 ' HB3' ' A' ' 57' ' ' PRO . 3.0 tp -83.62 -33.12 25.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.344 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.471 ' HB3' ' HB ' ' A' ' 77' ' ' VAL . . . -39.52 99.81 0.2 Allowed Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.119 . . . . 0.0 109.346 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.626 ' HB3' ' CD1' ' A' ' 82' ' ' PHE . 26.6 Cg_exo -62.14 -11.28 21.24 Favored 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 124.343 3.362 . . . . 0.0 109.59 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.0 ttt180 -96.51 -47.76 5.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.584 HG23 ' HB ' ' A' ' 120' ' ' THR . 9.2 t -48.19 -43.78 12.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.447 ' OD1' HG12 ' A' ' 77' ' ' VAL . 0.3 OUTLIER -97.45 138.47 34.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.148 . . . . 0.0 109.325 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 21.2 p -86.06 -0.15 54.87 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.12 . . . . 0.0 110.434 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.19 47.45 1.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.514 ' CB ' ' HA ' ' A' ' 75' ' ' PRO . 54.4 mmt-85 -136.69 -94.24 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.626 ' CD1' ' HB3' ' A' ' 75' ' ' PRO . 2.0 m-30 -67.3 67.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.429 ' N ' ' O ' ' A' ' 81' ' ' ARG . 90.0 m -98.15 -60.0 1.64 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.098 . . . . 0.0 110.404 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -87.5 122.96 31.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.261 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.741 HG23 ' O ' ' A' ' 85' ' ' ILE . 8.9 tt -102.34 58.13 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.093 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -150.18 -50.96 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -88.44 -1.89 58.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -83.76 -26.82 7.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -72.74 -50.25 25.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.291 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -64.26 -47.88 77.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.43 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 4.5 mm-40 -55.3 -20.36 11.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.285 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.515 ' CZ ' ' CMA' ' A' ' 125' ' ' HEC . 0.1 OUTLIER -85.95 -29.89 23.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 110.994 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.513 HG23 ' CG ' ' A' ' 103' ' ' ASP . 0.9 OUTLIER -86.01 -40.16 16.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.378 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.2 mmtp -64.77 -32.06 73.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.493 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.4 t60 -65.62 -59.73 3.65 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.749 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.434 ' C ' ' O ' ' A' ' 102' ' ' ALA . 2.6 m -54.52 -25.04 23.24 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.543 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.469 ' HA ' ' N ' ' A' ' 102' ' ' ALA . 1.7 m-80 -78.18 -15.65 58.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.3 -1.21 15.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.493 HG13 ' CE1' ' A' ' 95' ' ' HIS . 26.7 mm -113.77 -57.03 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.261 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.602 HD12 ' SG ' ' A' ' 104' ' ' CYS . 43.3 mt -91.85 -21.27 20.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.0 109.261 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.866 ' HA3' ' HG3' ' A' ' 42' ' ' PRO . . . 95.87 11.65 54.51 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.53 1.144 . . . . 0.0 111.026 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.469 ' N ' ' HA ' ' A' ' 97' ' ' ASN . . . -162.38 -168.5 1.87 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.513 ' CG ' HG23 ' A' ' 93' ' ' THR . 14.1 t0 -94.87 125.54 39.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.602 ' SG ' HD12 ' A' ' 100' ' ' LEU . 45.7 m -65.02 163.13 15.32 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.613 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.423 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 16.1 t -77.93 150.05 77.72 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 109.981 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 105' ' ' SER . 16.1 Cg_exo -66.75 -12.83 37.51 Favored 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.358 3.372 . . . . 0.0 109.599 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 76.7 p -89.63 -43.14 10.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.979 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.558 ' OE2' ' CZ ' ' A' ' 34' ' ' PHE . 10.2 pt-20 -69.83 -5.68 27.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.589 1.181 . . . . 0.0 110.285 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.429 ' C ' ' N ' ' A' ' 111' ' ' ASN . 8.4 mmtp -96.5 -66.81 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.82 ' HB2' ' CB ' ' A' ' 12' ' ' TYR . . . -43.97 -27.19 0.34 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 0.0 109.328 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.486 ' ND2' ' HB3' ' A' ' 30' ' ' ASP . 6.8 t-20 -73.77 -54.8 7.23 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.444 ' CE2' HD22 ' A' ' 116' ' ' LEU . 39.3 t80 -54.51 -45.85 73.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.105 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.434 ' O ' HD23 ' A' ' 117' ' ' LEU . 1.6 mt -53.58 -39.88 39.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 117' ' ' LEU . . . -64.14 -64.99 0.74 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.566 ' CE1' ' HG2' ' A' ' 32' ' ' LYS . 1.3 t80 -45.81 -37.41 6.07 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.975 -1.011 . . . . 0.0 109.822 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.688 ' O ' HG22 ' A' ' 120' ' ' THR . 0.9 OUTLIER -68.98 -37.05 78.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.897 HD12 ' O ' ' A' ' 117' ' ' LEU . 1.1 pp -93.12 24.14 3.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.504 HG22 ' HG2' ' A' ' 119' ' ' GLU . 3.3 m -123.22 -80.09 0.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.392 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.504 ' HG2' HG22 ' A' ' 118' ' ' THR . 2.3 mt-10 -86.59 75.72 9.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 110.24 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.688 HG22 ' O ' ' A' ' 116' ' ' LEU . 7.6 p -98.13 58.68 1.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.389 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 11.0 mtpt -134.84 147.7 64.02 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.257 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -78.23 167.58 22.99 Favored 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.278 3.319 . . . . 0.0 109.593 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' THR . . . . . 0.597 ' O ' HG22 ' A' ' 123' ' ' THR . 9.2 m -155.38 56.14 0.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.379 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' HEC . . . . . 0.706 HBB3 HMB1 ' A' ' 125' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.477 ' H3 ' ' HB2' ' A' ' 4' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.507 HG13 ' NH2' ' A' ' 76' ' ' ARG . 97.5 t -59.39 -34.58 54.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.254 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.454 HG22 ' O ' ' A' ' 3' ' ' THR . 53.6 m -82.13 9.2 9.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 110.416 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.814 ' HB3' HD12 ' A' ' 85' ' ' ILE . 1.5 m-80 -118.72 -65.83 1.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.25 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.787 ' O ' HG23 ' A' ' 9' ' ' VAL . . . -39.33 -43.47 1.17 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.573 1.171 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -53.81 -48.67 69.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 4' ' ' ASN . 0.0 OUTLIER -59.12 -52.57 65.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.693 ' HG ' HD11 ' A' ' 85' ' ' ILE . 12.5 mt -49.5 -45.16 46.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.865 HG21 HD21 ' A' ' 117' ' ' LEU . 49.0 t -62.93 -53.01 52.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.34 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -66.17 -10.34 40.37 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.833 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 7' ' ' LYS . 0.5 OUTLIER -94.61 -73.71 0.57 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.812 ' CB ' ' HB2' ' A' ' 110' ' ' ALA . 55.8 m-85 -48.02 -24.61 1.12 Allowed 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.831 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.442 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 40.8 m -76.08 -49.36 17.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 110.435 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -61.16 -54.46 44.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.6 mt -46.75 -48.19 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.05 -54.6 44.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.418 ' HA ' ' O ' ' A' ' 20' ' ' ASN . 78.2 t60 -57.54 -30.43 65.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.586 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.2 t -70.94 -18.98 62.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.948 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -96.54 -39.95 9.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.357 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.418 ' O ' ' HA ' ' A' ' 17' ' ' HIS . 0.4 OUTLIER -140.95 125.19 10.47 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.27 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -68.89 -4.06 12.66 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.284 3.323 . . . . 0.0 109.569 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 3.5 mmt -79.21 -43.79 23.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.469 ' CE1' ' HB2' ' A' ' 107' ' ' SER . 23.4 t80 -79.2 126.55 30.9 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.85 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -123.5 -44.58 2.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.489 ' HB1' ' HD2' ' A' ' 26' ' ' PRO . . . -161.84 156.54 19.53 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.489 ' HD2' ' HB1' ' A' ' 25' ' ' ALA . 31.0 Cg_endo -64.55 178.03 1.9 Allowed 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.284 3.322 . . . . 0.0 109.592 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.5 16.82 1.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.044 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.402 ' O ' ' OG1' ' A' ' 29' ' ' THR . 36.1 pt 42.52 54.1 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.733 ' O ' HG22 ' A' ' 29' ' ' THR . 3.2 m -163.08 38.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 110.389 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.467 ' HB3' ' ND2' ' A' ' 111' ' ' ASN . 32.3 t70 -144.61 -47.22 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' A' ' 35' ' ' PHE . . . -48.96 -54.68 13.52 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.45 1.094 . . . . 0.0 111.03 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.564 ' HB3' ' CE2' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -45.04 -73.1 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 0.76 . . . . 0.0 109.304 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.3 mt -46.99 -53.13 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -57.0 -17.67 10.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.99 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.472 ' N ' ' O ' ' A' ' 31' ' ' GLY . 81.3 t80 -106.93 11.12 30.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 0.0 110.984 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -143.0 23.42 1.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -104.2 108.94 20.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.331 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.1 ttmm -63.83 96.7 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.486 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 25.2 p90 -100.01 163.69 12.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.1 tttp -105.41 140.62 38.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.459 HG23 ' O ' ' A' ' 45' ' ' LYS . 39.0 p -93.87 153.13 41.01 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.132 . . . . 0.0 110.384 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.751 ' HG3' ' HA3' ' A' ' 101' ' ' GLY . 88.1 Cg_endo -68.39 -2.78 9.71 Favored 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.377 3.385 . . . . 0.0 109.609 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 p -106.59 22.41 15.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.985 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 54.63 81.68 0.06 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.512 1.133 . . . . 0.0 111.006 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.459 ' O ' HG23 ' A' ' 41' ' ' THR . 3.7 tttt 171.43 108.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 0.782 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.56 153.32 39.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -163.98 177.47 8.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.486 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -155.53 152.79 29.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.442 ' CB ' ' CD1' ' A' ' 35' ' ' PHE . 62.3 m -65.18 -13.15 57.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 108.295 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.436 ' O ' ' HA ' ' A' ' 54' ' ' THR . . . -102.19 6.11 40.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.501 ' OG ' ' CMC' ' A' ' 125' ' ' HEC . 88.2 p -77.2 -28.8 54.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 110.019 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 86.1 m -117.71 -44.8 2.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 108.284 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.516 ' O ' ' OG1' ' A' ' 54' ' ' THR . 86.6 m-70 -86.69 14.59 6.78 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.785 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.516 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 40.6 p 50.18 172.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.369 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.431 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 11.2 p30 -53.67 -24.37 14.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -132.49 129.38 21.43 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.433 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 86.0 Cg_endo -73.42 -43.09 0.73 Allowed 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.295 3.33 . . . . 0.0 109.591 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.616 ' HA ' ' HB2' ' A' ' 74' ' ' ALA . . . -54.85 -18.14 4.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 109.351 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -89.85 172.83 8.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 40.8 t -70.49 135.74 27.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.132 . . . . 0.0 109.246 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -110.4 -174.8 20.56 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.46 1.1 . . . . 0.0 110.999 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.5 tttt -166.31 135.0 2.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.769 . . . . 0.0 109.292 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.534 ' ND2' HG13 ' A' ' 70' ' ' ILE . 10.5 m120 -94.12 134.44 36.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.5 pt -84.75 13.1 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.328 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 78.5 t -88.85 -60.03 2.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.2 p -113.43 -28.03 7.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 110.391 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 83.51 53.03 3.53 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.501 1.125 . . . . 0.0 110.999 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.516 ' O ' ' C ' ' A' ' 69' ' ' GLU . 7.6 ttmt -111.28 98.77 7.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.516 ' C ' ' O ' ' A' ' 68' ' ' LYS . 1.2 pm0 -28.87 100.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.431 1.082 . . . . 0.0 110.356 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.534 HG13 ' ND2' ' A' ' 63' ' ' ASN . 3.7 mm -77.54 134.13 66.32 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.271 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.517 ' HD2' HG23 ' A' ' 70' ' ' ILE . 60.0 Cg_endo -71.61 150.75 57.52 Favored 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.332 3.354 . . . . 0.0 109.553 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.41 ' C ' ' O ' ' A' ' 71' ' ' PRO . 72.4 Cg_exo -32.75 137.75 0.06 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.339 3.359 . . . . 0.0 109.565 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 1.026 ' O ' HD12 ' A' ' 73' ' ' LEU . 0.2 OUTLIER -93.22 -28.27 16.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.616 ' HB2' ' HA ' ' A' ' 58' ' ' ALA . . . -34.66 96.9 0.11 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.62 ' CG ' HD13 ' A' ' 116' ' ' LEU . 16.6 Cg_exo -67.22 53.4 0.46 Allowed 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.342 3.361 . . . . 0.0 109.607 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.507 ' NH2' HG13 ' A' ' 2' ' ' VAL . 9.7 ttm180 -168.7 -51.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 110.29 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.596 HG12 ' OD1' ' A' ' 78' ' ' ASN . 38.4 t -46.32 -41.02 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.596 ' OD1' HG12 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -111.39 142.07 44.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -78.97 -6.5 56.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 110.367 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.44 ' O ' ' NH1' ' A' ' 81' ' ' ARG . 0.4 OUTLIER -97.72 45.5 1.03 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.452 ' NH2' ' HG2' ' A' ' 71' ' ' PRO . 17.9 mmt-85 -141.89 162.6 35.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 110.309 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.586 ' CG ' ' HB3' ' A' ' 75' ' ' PRO . 3.1 m-30 39.62 67.84 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.95 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 10.7 m -89.8 -67.52 0.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.361 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -81.75 92.39 6.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.252 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.814 HD12 ' HB3' ' A' ' 4' ' ' ASN . 8.8 tt -72.14 -4.71 5.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.348 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -97.55 -21.03 17.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 90' ' ' ASP . 5.2 ttmt -102.05 -50.57 3.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.362 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -43.92 -26.91 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.421 ' N ' ' C ' ' A' ' 87' ' ' LYS . 2.2 tm-20 -70.46 -46.73 63.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 0.0 110.311 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 87' ' ' LYS . 23.0 m-20 -70.88 -46.44 62.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -54.79 -18.72 5.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.115 . . . . 0.0 110.291 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.695 ' CZ ' ' CMA' ' A' ' 125' ' ' HEC . 0.2 OUTLIER -81.15 -24.52 37.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.998 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -89.35 -29.95 18.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.4 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.6 -33.78 53.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.342 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.586 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.4 t60 -66.0 -59.25 4.0 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 114.99 -1.004 . . . . 0.0 109.759 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.419 ' C ' ' O ' ' A' ' 102' ' ' ALA . 11.9 m -56.35 -23.66 38.93 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.568 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.45 ' HA ' ' N ' ' A' ' 102' ' ' ALA . 1.7 m-80 -82.24 -12.29 58.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -117.9 5.92 12.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.586 HG13 ' CE1' ' A' ' 95' ' ' HIS . 25.0 mm -122.57 -51.42 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.761 HD12 ' SG ' ' A' ' 104' ' ' CYS . 74.6 mt -97.19 -29.21 13.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.751 ' HA3' ' HG3' ' A' ' 42' ' ' PRO . . . 106.86 9.79 29.66 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.483 1.115 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.45 ' N ' ' HA ' ' A' ' 97' ' ' ASN . . . -168.21 -173.89 2.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 0.778 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -85.46 125.34 32.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.761 ' SG ' HD12 ' A' ' 100' ' ' LEU . 57.3 m -61.04 161.31 8.62 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.599 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.472 ' HB2' ' CG ' ' A' ' 108' ' ' GLU . 4.5 m -68.79 144.5 96.02 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.035 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -63.61 -21.46 70.32 Favored 'Trans proline' 0 N--CA 1.446 -1.283 0 C-N-CA 124.334 3.356 . . . . 0.0 109.599 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.469 ' HB2' ' CE1' ' A' ' 23' ' ' TYR . 72.0 p -85.79 -36.74 19.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.986 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.472 ' CG ' ' HB2' ' A' ' 105' ' ' SER . 4.5 mm-40 -70.5 -9.95 57.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.312 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.608 ' HD2' ' CD1' ' A' ' 92' ' ' PHE . 2.4 tppt? -90.66 -65.38 1.02 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.261 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.812 ' HB2' ' CB ' ' A' ' 12' ' ' TYR . . . -49.55 -22.05 1.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.269 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.467 ' ND2' ' HB3' ' A' ' 30' ' ' ASP . 6.0 t-20 -80.0 -51.3 9.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.419 ' CZ ' HD11 ' A' ' 116' ' ' LEU . 40.7 t80 -58.07 -46.12 85.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 110.972 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.687 HG22 HG22 ' A' ' 9' ' ' VAL . 1.4 mt -57.52 -38.22 62.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.82 -62.79 1.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.564 ' CE2' ' HB3' ' A' ' 32' ' ' LYS . 1.1 t80 -50.37 -31.59 15.15 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.852 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.62 HD13 ' CG ' ' A' ' 75' ' ' PRO . 10.5 mt -71.8 -40.02 69.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.865 HD21 HG21 ' A' ' 9' ' ' VAL . 1.7 pp -91.17 20.75 4.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 27.4 m -118.3 -65.73 1.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.396 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -95.31 107.49 19.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 110.292 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 3.1 p -131.79 54.67 1.91 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.396 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 22.0 mttp -131.17 99.75 17.51 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.262 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.91 153.38 25.43 Favored 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.355 3.37 . . . . 0.0 109.615 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' THR . . . . . 0.528 HG23 ' O ' ' A' ' 123' ' ' THR . 9.8 t -155.09 56.5 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.09 . . . . 0.0 110.412 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 1.008 ' OXT' ' HE3' ' A' ' 124' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' HEC . . . . . 0.695 ' CMA' ' CZ ' ' A' ' 92' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 19.2 m . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.368 -0.234 . . . . 0.0 110.368 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.516 ' N ' ' ND2' ' A' ' 4' ' ' ASN . 0.4 OUTLIER -77.82 -48.36 16.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.255 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -49.67 -48.78 49.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -64.53 -34.21 77.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -63.93 -49.68 71.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.8 mt -51.86 -51.94 53.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.722 HG21 HD21 ' A' ' 117' ' ' LEU . 95.7 t -53.49 -51.56 40.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -71.54 -6.98 44.68 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.838 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 7' ' ' LYS . 4.8 tppt? -96.28 -71.76 0.66 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.638 ' HB2' ' HB2' ' A' ' 110' ' ' ALA . 85.5 m-85 -50.67 -23.55 2.71 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.801 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.497 ' CG2' ' O ' ' A' ' 24' ' ' GLU . 18.7 m -74.36 -42.42 59.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.396 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -65.3 -52.53 53.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.343 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.7 mt -51.38 -51.32 24.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.99 -56.2 22.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.232 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -54.23 -33.21 57.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.622 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 39.5 t -70.81 -16.49 62.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.006 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -105.34 -37.59 6.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -136.49 94.1 13.84 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_exo -46.93 -22.76 2.16 Favored 'Trans proline' 0 N--CA 1.446 -1.265 0 C-N-CA 124.336 3.358 . . . . 0.0 109.593 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -65.51 -44.28 87.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -75.32 119.02 18.86 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.023 -0.99 . . . . 0.0 109.805 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.497 ' O ' ' CG2' ' A' ' 13' ' ' THR . 1.7 mt-10 -118.84 -44.53 2.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.553 ' HB1' ' HD2' ' A' ' 26' ' ' PRO . . . -132.8 164.94 40.2 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.553 ' HD2' ' HB1' ' A' ' 25' ' ' ALA . 65.5 Cg_endo -91.33 -169.15 0.28 Allowed 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.329 3.353 . . . . 0.0 109.626 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 40.5 t -151.07 172.98 14.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.973 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.513 ' O ' ' CE2' ' A' ' 115' ' ' TYR . 7.7 pt -121.66 29.99 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.262 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.46 HG22 ' O ' ' A' ' 29' ' ' THR . 20.8 m -132.64 6.38 4.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.411 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.447 ' CB ' ' OD1' ' A' ' 111' ' ' ASN . 1.0 OUTLIER -112.59 -25.59 9.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.794 ' N ' HD21 ' A' ' 111' ' ' ASN . . . -79.68 54.66 4.41 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.436 1.085 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.21 -66.55 0.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 0.729 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.455 ' CG2' ' HD3' ' A' ' 37' ' ' ARG . 33.7 mt -59.99 -50.57 79.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -53.97 -21.64 8.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.538 ' CD1' ' HB2' ' A' ' 49' ' ' CYS . 86.4 t80 -109.08 6.04 24.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.467 1.104 . . . . 0.0 110.99 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.404 ' OD1' ' O ' ' A' ' 35' ' ' PHE . 76.4 m-20 -140.21 22.62 2.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.455 ' HD3' ' CG2' ' A' ' 33' ' ' ILE . 1.5 ttp85 -105.15 104.11 13.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.286 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -56.42 96.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.528 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 25.9 p90 -100.02 164.45 11.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.87 147.48 28.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.401 ' HB ' ' HD2' ' A' ' 42' ' ' PRO . 33.5 p -103.19 153.99 37.99 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.381 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.791 ' HG3' ' HA3' ' A' ' 101' ' ' GLY . 68.9 Cg_endo -65.51 -6.1 12.92 Favored 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 124.328 3.352 . . . . 0.0 109.594 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 p -104.26 34.82 2.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.998 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 43.0 80.96 0.04 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.54 1.15 . . . . 0.0 110.98 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.4 ' O ' HG23 ' A' ' 41' ' ' THR . 1.7 tttp 172.49 124.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.467 0.746 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.34 154.11 27.97 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.143 . . . . 0.0 110.263 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -163.5 176.76 9.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.528 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -155.38 152.56 29.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.538 ' HB2' ' CD1' ' A' ' 35' ' ' PHE . 57.8 m -65.29 -12.62 53.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 108.294 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.442 ' HB1' ' HA ' ' A' ' 55' ' ' ASN . . . -102.49 6.13 39.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.342 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 94.8 p -76.33 -29.69 57.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.944 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 71.4 m -118.1 -45.44 2.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 108.25 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.518 ' O ' ' OG1' ' A' ' 54' ' ' THR . 77.4 m-70 -84.69 14.57 4.55 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.063 -0.971 . . . . 0.0 109.721 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.518 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 49.4 p 50.27 172.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.417 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.442 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 8.6 p30 -53.31 -24.87 12.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -131.05 125.13 20.99 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.242 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.526 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 60.9 Cg_endo -70.48 -41.2 3.53 Favored 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.302 3.335 . . . . 0.0 109.587 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.43 -16.97 6.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -88.69 176.37 7.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.557 HG22 ' HD3' ' A' ' 72' ' ' PRO . 53.7 t -79.54 120.67 31.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.508 ' HA2' HG23 ' A' ' 54' ' ' THR . . . -84.08 -168.52 44.03 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.485 1.115 . . . . 0.0 110.977 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.14 120.69 0.98 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 0.779 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.931 ' ND2' HD11 ' A' ' 70' ' ' ILE . 84.5 m-20 -76.83 129.75 36.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.107 . . . . 0.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 6.4 pt -85.69 9.05 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.344 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 53.6 t -91.28 -55.46 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 68.2 p -107.42 -33.29 7.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 110.384 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 77.82 36.84 31.45 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.433 1.083 . . . . 0.0 110.984 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -81.97 -94.44 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 0.756 . . . . 0.0 109.26 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -177.99 123.13 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.355 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.931 HD11 ' ND2' ' A' ' 63' ' ' ASN . 1.8 mm -112.81 97.88 42.99 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.422 ' HB3' ' HD2' ' A' ' 72' ' ' PRO . 86.9 Cg_exo -48.94 167.83 0.12 Allowed 'Trans proline' 0 N--CA 1.448 -1.193 0 C-N-CA 124.315 3.343 . . . . 0.0 109.578 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.557 ' HD3' HG22 ' A' ' 60' ' ' VAL . 68.7 Cg_exo -37.76 131.46 0.77 Allowed 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.282 3.322 . . . . 0.0 109.633 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 75' ' ' PRO . 4.1 tp -87.84 -31.01 19.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.648 ' HB3' ' HB ' ' A' ' 77' ' ' VAL . . . -37.89 98.42 0.16 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.601 ' HB3' ' CD1' ' A' ' 82' ' ' PHE . 26.2 Cg_exo -62.85 -18.25 63.72 Favored 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 124.316 3.344 . . . . 0.0 109.61 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -94.01 -40.57 10.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.648 ' HB ' ' HB3' ' A' ' 74' ' ' ALA . 41.2 t -59.96 -39.99 81.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.447 ' N ' ' OD1' ' A' ' 78' ' ' ASN . 0.4 OUTLIER -93.92 134.65 36.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 19.3 p -82.25 -7.13 59.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.378 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.82 43.72 1.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.352 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.499 ' CB ' ' HA ' ' A' ' 75' ' ' PRO . 50.6 mmt-85 -145.25 172.27 13.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.601 ' CD1' ' HB3' ' A' ' 75' ' ' PRO . 1.6 m-30 36.44 64.76 0.51 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 110.987 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 24.5 m -101.51 -64.26 1.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.39 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -79.38 149.06 31.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 109.329 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.479 ' CG1' ' HB3' ' A' ' 4' ' ' ASN . 2.8 mp -107.84 -45.95 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -45.62 -67.77 0.25 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.441 1.088 . . . . 0.0 109.324 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.448 ' C ' ' N ' ' A' ' 89' ' ' GLU . 0.2 OUTLIER -52.84 -63.88 1.0 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.257 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 87' ' ' LYS . 1.2 t -40.15 -30.13 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.448 ' N ' ' C ' ' A' ' 87' ' ' LYS . 5.4 tt0 -80.01 53.65 1.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.339 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 30.1 t0 178.39 -50.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 4.2 mm-40 -54.34 -20.63 7.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.307 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.578 ' CD1' ' HD2' ' A' ' 109' ' ' LYS . 0.1 OUTLIER -81.85 -30.91 31.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 111.008 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.1 m -84.55 -36.37 22.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.43 1.081 . . . . 0.0 110.404 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.3 mmpt? -68.16 -31.98 71.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.578 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.3 t60 -64.9 -58.68 5.51 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.766 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.414 ' C ' ' O ' ' A' ' 102' ' ' ALA . 4.5 m -55.91 -22.79 27.78 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.603 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.434 ' HA ' ' N ' ' A' ' 102' ' ' ALA . 1.9 m-80 -83.16 -13.19 56.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.67 6.35 13.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.578 HG13 ' CE1' ' A' ' 95' ' ' HIS . 19.8 mm -121.71 -51.63 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.689 HD12 ' SG ' ' A' ' 104' ' ' CYS . 78.3 mt -97.62 -29.04 13.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.791 ' HA3' ' HG3' ' A' ' 42' ' ' PRO . . . 105.96 12.02 26.83 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.555 1.159 . . . . 0.0 110.985 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.434 ' N ' ' HA ' ' A' ' 97' ' ' ASN . . . -168.17 -173.17 1.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 0.749 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -87.64 125.94 34.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.689 ' SG ' HD12 ' A' ' 100' ' ' LEU . 58.3 m -63.14 160.24 15.8 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.605 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.478 ' HB2' ' CG ' ' A' ' 108' ' ' GLU . 1.9 m -67.85 149.19 98.34 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.992 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -65.97 -23.49 54.16 Favored 'Trans proline' 0 N--CA 1.446 -1.269 0 C-N-CA 124.334 3.356 . . . . 0.0 109.63 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.83 -8.53 51.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.993 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.478 ' CG ' ' HB2' ' A' ' 105' ' ' SER . 3.9 mm-40 -94.65 -13.89 25.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.293 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.578 ' HD2' ' CD1' ' A' ' 92' ' ' PHE . 2.6 tppt? -86.59 -59.3 2.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.638 ' HB2' ' HB2' ' A' ' 12' ' ' TYR . . . -52.18 -24.71 7.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.794 HD21 ' N ' ' A' ' 31' ' ' GLY . 0.8 OUTLIER -71.62 -54.87 9.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.684 ' CE2' HD11 ' A' ' 116' ' ' LEU . 45.9 t80 -59.51 -45.57 91.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 111.042 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.701 ' O ' HD23 ' A' ' 117' ' ' LEU . 1.7 mt -55.59 -35.96 40.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -65.02 -66.78 0.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.513 ' CE2' ' O ' ' A' ' 28' ' ' ILE . 0.2 OUTLIER -50.56 -34.4 25.52 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.814 -179.93 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.684 HD11 ' CE2' ' A' ' 112' ' ' PHE . 7.6 mt -70.54 -36.92 73.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.874 ' O ' HD12 ' A' ' 117' ' ' LEU . 1.7 pp -96.8 28.39 3.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 6.9 m . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.379 -179.971 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 48.6 m . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.553 0.216 . . . . 0.0 110.436 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.542 ' N ' ' ND2' ' A' ' 4' ' ' ASN . 0.3 OUTLIER -78.45 -47.76 16.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.594 ' HB1' HD22 ' A' ' 117' ' ' LEU . . . -44.19 -46.87 9.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -60.54 -47.56 85.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -59.08 -46.68 87.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.261 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.616 HD11 HG21 ' A' ' 88' ' ' VAL . 8.6 mt -53.27 -52.18 59.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.78 HG21 HD21 ' A' ' 117' ' ' LEU . 75.4 t -56.11 -49.36 76.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.092 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -74.32 -3.01 27.66 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.778 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 7' ' ' LYS . 3.4 mmmt -100.2 -72.79 0.66 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.756 ' HB2' ' HB2' ' A' ' 110' ' ' ALA . 87.3 m-85 -50.23 -22.84 1.91 Allowed 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.834 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.425 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 19.6 m -74.95 -42.59 57.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.431 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -64.44 -51.1 64.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.1 mt -52.9 -46.32 52.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.53 -50.79 72.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -58.14 -31.88 67.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.09 . . . . 0.0 109.604 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.2 t -72.02 -17.37 62.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 0.0 109.976 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -104.37 -35.92 7.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -137.42 93.4 12.79 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo -47.89 -22.11 3.1 Favored 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.305 3.336 . . . . 0.0 109.573 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -66.87 -43.05 84.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 111.045 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -75.45 117.27 17.06 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 114.944 -1.026 . . . . 0.0 109.808 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -117.09 -43.6 2.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.11 . . . . 0.0 110.273 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.554 ' HB1' ' HD2' ' A' ' 26' ' ' PRO . . . -132.06 168.03 19.53 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.346 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.554 ' HD2' ' HB1' ' A' ' 25' ' ' ALA . 89.1 Cg_endo -93.26 175.31 1.6 Allowed 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 124.318 3.345 . . . . 0.0 109.574 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.28 135.58 37.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.996 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.784 HG22 ' O ' ' A' ' 28' ' ' ILE . 3.7 mt -92.6 38.16 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.552 HG22 ' O ' ' A' ' 29' ' ' THR . 49.5 m -148.47 34.68 0.79 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 110.36 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -137.23 -49.94 0.62 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.467 ' O ' ' CB ' ' A' ' 35' ' ' PHE . . . -39.08 -37.54 0.67 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.517 1.136 . . . . 0.0 111.063 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.516 ' HG2' ' CZ ' ' A' ' 115' ' ' TYR . 0.4 OUTLIER -51.98 -72.16 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 0.723 . . . . 0.0 109.26 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 15.7 mt -46.84 -57.01 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -54.88 -17.77 4.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.132 . . . . 0.0 111.008 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.559 ' CD1' ' HB2' ' A' ' 49' ' ' CYS . 87.5 t80 -111.62 3.88 18.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 32' ' ' LYS . 67.4 m-20 -139.97 24.06 2.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.344 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -104.28 98.46 8.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.132 . . . . 0.0 110.271 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -51.66 94.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.574 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 25.9 p90 -100.15 162.88 12.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 110.97 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.9 mttt -107.11 145.64 32.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.095 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.457 HG23 ' O ' ' A' ' 45' ' ' LYS . 28.7 p -100.14 153.25 37.86 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.423 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.75 ' HG3' ' HA3' ' A' ' 101' ' ' GLY . 60.9 Cg_endo -64.6 -8.21 16.71 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.276 3.317 . . . . 0.0 109.623 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.6 p -101.94 33.68 2.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.029 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 42.07 77.41 0.08 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.509 1.131 . . . . 0.0 111.042 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.457 ' O ' HG23 ' A' ' 41' ' ' THR . 0.1 OUTLIER 178.68 112.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 0.779 . . . . 0.0 109.255 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -69.22 152.74 44.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 110.312 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -163.8 177.52 8.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.574 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -158.07 156.49 31.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.559 ' HB2' ' CD1' ' A' ' 35' ' ' PHE . 34.8 m -70.76 -8.26 51.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 108.297 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.438 ' HA ' ' O ' ' A' ' 54' ' ' THR . . . -106.53 4.05 27.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.404 ' HB2' ' O ' ' A' ' 48' ' ' ALA . 0.3 OUTLIER -83.54 -18.43 38.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.117 . . . . 0.0 110.021 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 53.9 m -124.22 -45.2 1.98 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 108.302 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.509 ' O ' ' OG1' ' A' ' 54' ' ' THR . 73.8 m-70 -92.36 17.37 9.94 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.741 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.541 HG23 ' HA2' ' A' ' 61' ' ' GLY . 71.7 p 50.26 170.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 110.411 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.408 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 13.6 p30 -54.35 -20.09 6.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -133.13 124.27 18.34 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.466 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 66.6 Cg_endo -71.12 -47.17 0.57 Allowed 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 124.327 3.352 . . . . 0.0 109.61 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.28 -19.08 2.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.358 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.401 ' N ' ' C ' ' A' ' 57' ' ' PRO . 12.5 t-20 -86.55 173.69 9.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 78.6 t -74.69 122.14 27.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.541 ' HA2' HG23 ' A' ' 54' ' ' THR . . . -92.75 -177.58 41.06 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.528 1.142 . . . . 0.0 111.041 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 59.8 tttt -159.85 133.34 7.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 0.754 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.903 ' ND2' HD11 ' A' ' 70' ' ' ILE . 92.0 m-20 -83.98 130.88 34.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.347 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 7.1 pt -85.16 7.2 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 57.8 t -88.81 -54.81 7.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 70.0 p -107.4 -34.4 7.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.398 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 81.51 33.25 28.59 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.555 1.159 . . . . 0.0 111.035 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.6 mmtp -79.08 -94.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 0.775 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -179.47 123.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.903 HD11 ' ND2' ' A' ' 63' ' ' ASN . 2.6 mm -112.34 99.28 46.25 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.348 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.407 ' HB3' ' HD2' ' A' ' 72' ' ' PRO . 85.7 Cg_exo -49.0 167.08 0.14 Allowed 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.304 3.336 . . . . 0.0 109.601 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.407 ' HD2' ' HB3' ' A' ' 71' ' ' PRO . 64.9 Cg_exo -37.18 132.05 0.52 Allowed 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.287 3.325 . . . . 0.0 109.615 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 74' ' ' ALA . 6.3 tp -86.91 -28.83 22.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.511 ' HB3' ' HB ' ' A' ' 77' ' ' VAL . . . -39.28 113.41 0.82 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.491 ' HA ' ' CB ' ' A' ' 81' ' ' ARG . 54.3 Cg_endo -72.8 -4.11 14.78 Favored 'Trans proline' 0 N--CA 1.448 -1.168 0 C-N-CA 124.281 3.321 . . . . 0.0 109.567 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.4 ttt180 -106.34 -51.77 2.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.311 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.511 ' HB ' ' HB3' ' A' ' 74' ' ' ALA . 7.6 t -45.72 -42.82 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.443 ' N ' ' OD1' ' A' ' 78' ' ' ASN . 0.4 OUTLIER -95.63 141.44 29.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.536 1.148 . . . . 0.0 109.272 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.7 p -89.23 1.25 55.97 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 110.41 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.18 46.11 1.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.491 ' CB ' ' HA ' ' A' ' 75' ' ' PRO . 60.3 mmt-85 -143.26 168.74 19.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.28 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.475 ' CG ' ' HB2' ' A' ' 75' ' ' PRO . 2.7 m-30 36.6 62.78 0.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.949 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.705 HG22 ' O ' ' A' ' 83' ' ' THR . 3.4 m -124.94 44.63 2.74 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 110.392 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.435 ' C ' ' N ' ' A' ' 86' ' ' ASP . 44.8 t0 -174.86 79.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 6.1 mt -41.12 -28.96 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.34 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.435 ' N ' ' C ' ' A' ' 84' ' ' ASP . 15.2 m-20 -66.53 -68.63 0.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 88' ' ' VAL . 3.1 ttmm -41.08 -47.09 3.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.616 HG21 HD11 ' A' ' 8' ' ' LEU . 2.1 t -38.06 -58.27 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.46 80.53 6.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 110.278 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.0 t70 176.69 -66.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 0.0 109.303 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.484 ' HG3' ' N ' ' A' ' 92' ' ' PHE . 9.4 pt-20 -64.86 -38.46 91.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.575 ' CD1' ' HD2' ' A' ' 109' ' ' LYS . 0.1 OUTLIER -59.57 -26.66 65.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 111.01 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.496 HG23 ' CG ' ' A' ' 103' ' ' ASP . 1.3 m -87.79 -41.31 13.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.385 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.68 -29.83 69.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.529 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.4 t60 -66.68 -58.83 4.33 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.791 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.419 ' C ' ' O ' ' A' ' 102' ' ' ALA . 12.5 m -57.27 -24.1 52.61 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.579 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.418 ' HA ' ' N ' ' A' ' 102' ' ' ALA . 2.0 m-80 -82.74 -12.4 57.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.264 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.67 8.28 11.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.529 HG13 ' CE1' ' A' ' 95' ' ' HIS . 20.0 mm -124.49 -43.13 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.469 HD12 ' SG ' ' A' ' 104' ' ' CYS . 56.5 mt -106.82 -31.57 8.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.75 ' HA3' ' HG3' ' A' ' 42' ' ' PRO . . . 108.43 11.71 22.97 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.523 1.139 . . . . 0.0 111.039 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 96' ' ' CYS . . . -166.35 -173.89 2.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 0.785 . . . . 0.0 109.341 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.496 ' CG ' HG23 ' A' ' 93' ' ' THR . 14.0 t0 -89.67 126.03 35.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.469 ' SG ' HD12 ' A' ' 100' ' ' LEU . 56.2 m -62.12 160.9 11.87 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.613 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 23.3 t -74.77 142.99 77.65 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.989 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -59.12 -17.7 39.95 Favored 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.337 3.358 . . . . 0.0 109.593 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 60.4 p -86.17 -42.14 14.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.013 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -68.36 -11.84 60.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.575 ' HD2' ' CD1' ' A' ' 92' ' ' PHE . 2.7 tppp? -87.21 -62.95 1.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.756 ' HB2' ' HB2' ' A' ' 12' ' ' TYR . . . -51.96 -20.91 2.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -76.37 -49.95 15.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -62.92 -44.9 94.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.59 ' O ' HD23 ' A' ' 117' ' ' LEU . 1.5 mt -53.66 -38.64 35.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -66.02 -62.77 1.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.516 ' CZ ' ' HG2' ' A' ' 32' ' ' LYS . 1.1 t80 -48.67 -32.5 8.44 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.809 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' A' ' 116' ' ' LEU . 1.0 OUTLIER -74.45 -42.29 59.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.89 ' O ' HD12 ' A' ' 117' ' ' LEU . 1.6 pp -91.98 33.32 1.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.581 1.176 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.442 HG21 HG21 ' A' ' 28' ' ' ILE . 57.0 m . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.356 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 23.5 m . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.521 ' N ' ' ND2' ' A' ' 4' ' ' ASN . 0.4 OUTLIER -76.74 -47.3 22.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.418 1.074 . . . . 0.0 109.256 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.798 ' O ' HG23 ' A' ' 9' ' ' VAL . . . -54.57 -44.45 72.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -65.17 -36.64 84.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.264 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -52.21 64.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.714 HD21 HG23 ' A' ' 85' ' ' ILE . 5.0 mt -51.1 -49.67 60.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.337 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.798 HG23 ' O ' ' A' ' 5' ' ' ALA . 42.2 t -53.17 -51.69 37.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -72.81 -4.71 33.31 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.843 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -97.9 -72.72 0.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.794 ' HB2' ' HB2' ' A' ' 110' ' ' ALA . 93.9 m-85 -50.61 -22.7 2.14 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 114.997 -1.002 . . . . 0.0 109.889 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.427 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 8.8 m -72.3 -40.77 67.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.165 . . . . 0.0 110.425 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.92 -52.94 53.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.9 mt -51.58 -48.84 35.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.76 -58.11 8.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.411 ' HA ' ' O ' ' A' ' 20' ' ' ASN . 70.0 t60 -58.13 -31.02 66.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.602 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 47.9 t -70.64 -14.66 62.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.971 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -100.85 -42.75 6.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.411 ' O ' ' HA ' ' A' ' 17' ' ' HIS . 6.6 m120 -141.25 128.69 11.9 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -67.18 -6.51 16.35 Favored 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.345 3.363 . . . . 0.0 109.624 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.8 mmt -75.19 -45.28 41.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 110.986 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -78.98 123.42 27.27 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.816 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -120.53 -45.41 2.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.11 . . . . 0.0 110.331 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.646 ' HB1' ' CD ' ' A' ' 26' ' ' PRO . . . -133.89 175.25 3.82 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.646 ' CD ' ' HB1' ' A' ' 25' ' ' ALA . 6.7 Cg_exo -75.25 -167.45 0.43 Allowed 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.308 3.339 . . . . 0.0 109.57 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 32.3 t -160.09 160.78 33.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.018 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 7.3 pt -126.86 53.71 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.718 HG22 ' O ' ' A' ' 29' ' ' THR . 3.5 m -162.21 35.82 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.435 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -143.99 -49.46 0.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' A' ' 35' ' ' PHE . . . -38.88 -52.63 2.55 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 110.951 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -46.44 -74.02 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 0.757 . . . . 0.0 109.282 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 15.4 mt -45.5 -58.6 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -54.17 -18.15 3.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.537 ' CD1' ' CB ' ' A' ' 49' ' ' CYS . 87.0 t80 -110.23 2.75 19.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 111.017 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 32' ' ' LYS . 79.4 m-20 -140.99 28.37 1.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.462 ' O ' ' N ' ' A' ' 39' ' ' PHE . 35.9 ttt85 -106.51 90.73 3.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.355 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.4 ttmm -44.5 95.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.587 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 31.9 p90 -104.12 162.51 13.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.137 . . . . 0.0 110.961 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.58 134.33 52.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.495 HG23 ' O ' ' A' ' 45' ' ' LYS . 19.8 p -84.16 154.54 63.59 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.41 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.867 ' HG3' ' HA3' ' A' ' 101' ' ' GLY . 47.7 Cg_endo -61.32 -9.68 13.58 Favored 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 124.254 3.302 . . . . 0.0 109.606 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 p -102.8 35.06 2.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.987 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 43.2 80.33 0.05 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.486 1.116 . . . . 0.0 110.981 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.495 ' O ' HG23 ' A' ' 41' ' ' THR . 0.3 OUTLIER -175.22 123.13 0.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 0.775 . . . . 0.0 109.295 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -83.38 124.91 31.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.273 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.58 -174.36 3.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.587 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -166.52 154.81 10.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.537 ' CB ' ' CD1' ' A' ' 35' ' ' PHE . 35.4 m -70.44 -8.12 48.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 108.304 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.457 ' HA ' ' O ' ' A' ' 54' ' ' THR . . . -106.4 3.05 26.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.406 ' HB2' ' O ' ' A' ' 48' ' ' ALA . 0.5 OUTLIER -83.44 -16.17 46.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.006 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 21.2 m -126.23 -43.23 1.8 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 108.315 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.511 ' O ' ' OG1' ' A' ' 54' ' ' THR . 79.0 m-70 -95.26 18.86 11.58 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 114.999 -1.001 . . . . 0.0 109.784 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.511 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 49.9 p 50.25 170.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.402 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.442 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 9.6 p30 -52.18 -24.97 7.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.118 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -129.92 127.2 22.73 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.502 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 73.2 Cg_endo -71.08 -43.19 1.68 Allowed 'Trans proline' 0 N--CA 1.448 -1.202 0 C-N-CA 124.333 3.356 . . . . 0.0 109.585 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.407 ' HA ' ' HB2' ' A' ' 74' ' ' ALA . . . -55.09 -18.13 5.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 0.0 109.273 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -86.91 176.19 7.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 51.0 t -77.94 124.5 36.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.414 ' HA2' HG23 ' A' ' 54' ' ' THR . . . -91.89 -169.33 41.15 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.514 1.134 . . . . 0.0 111.002 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.466 ' CG ' ' O ' ' A' ' 68' ' ' LYS . 6.9 ttpt 176.1 131.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 0.749 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -83.01 133.73 35.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.0 pt -83.65 6.92 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 61.5 t -84.63 -49.53 15.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 72.2 p -107.78 -32.78 7.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 110.411 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 88.68 45.16 4.98 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.455 1.097 . . . . 0.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.466 ' O ' ' CG ' ' A' ' 62' ' ' LYS . 0.6 OUTLIER -98.04 -161.56 0.88 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 0.752 . . . . 0.0 109.326 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.469 ' N ' ' CD ' ' A' ' 69' ' ' GLU . 1.2 pm0 -131.73 101.29 5.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.297 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.2 mm -83.59 115.43 59.44 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.404 ' HB3' ' HD2' ' A' ' 72' ' ' PRO . 76.6 Cg_exo -50.02 166.0 0.3 Allowed 'Trans proline' 0 N--CA 1.448 -1.196 0 C-N-CA 124.307 3.338 . . . . 0.0 109.576 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.404 ' HD2' ' HB3' ' A' ' 71' ' ' PRO . 1.3 Cg_endo -42.37 126.55 3.94 Favored 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.311 3.341 . . . . 0.0 109.577 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 75' ' ' PRO . 6.4 tp -81.96 -33.86 30.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.279 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.58 ' HB3' ' HB ' ' A' ' 77' ' ' VAL . . . -37.73 97.8 0.14 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.491 ' HA ' ' CB ' ' A' ' 81' ' ' ARG . 24.4 Cg_exo -63.55 -17.14 58.69 Favored 'Trans proline' 0 N--CA 1.447 -1.265 0 C-N-CA 124.338 3.359 . . . . 0.0 109.609 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.99 -46.09 7.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.326 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.58 ' HB ' ' HB3' ' A' ' 74' ' ' ALA . 15.3 t -54.13 -41.76 52.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.458 ' N ' ' OD1' ' A' ' 78' ' ' ASN . 0.4 OUTLIER -93.69 133.04 37.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 21.2 p -81.31 -7.39 59.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.427 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.93 43.82 1.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.491 ' CB ' ' HA ' ' A' ' 75' ' ' PRO . 51.6 mmt-85 -144.64 170.52 15.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.366 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.489 ' CD1' ' HB3' ' A' ' 75' ' ' PRO . 2.0 m-30 39.09 64.9 0.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 88.8 m -102.34 -61.39 1.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.424 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -85.11 110.23 18.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.272 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.714 HG23 HD21 ' A' ' 8' ' ' LEU . 2.8 mp -69.95 -42.41 79.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.72 -57.67 5.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.451 ' C ' ' N ' ' A' ' 89' ' ' GLU . 0.7 OUTLIER -57.41 -66.17 0.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.627 HG11 HD11 ' A' ' 8' ' ' LEU . 1.2 t -39.93 -30.19 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.451 ' N ' ' C ' ' A' ' 87' ' ' LYS . 1.1 tm-20 -81.06 61.97 4.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.289 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.405 ' CG ' ' O ' ' A' ' 89' ' ' GLU . 1.7 m-20 167.08 -46.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.234 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.453 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 3.6 mm-40 -57.44 -16.62 9.92 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.527 1.142 . . . . 0.0 110.252 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.571 ' CD1' ' HD2' ' A' ' 109' ' ' LYS . 0.1 OUTLIER -88.09 -23.02 23.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.5 HG23 ' CG ' ' A' ' 103' ' ' ASP . 1.2 m -89.43 -39.58 13.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.403 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -68.13 -29.79 68.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.582 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.2 t60 -68.33 -59.25 3.33 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.775 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.418 ' C ' ' O ' ' A' ' 102' ' ' ALA . 7.7 m -55.9 -23.99 34.78 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.342 -0.844 . . . . 0.0 109.564 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.408 ' HA ' ' N ' ' A' ' 102' ' ' ALA . 1.8 m-20 -82.12 -13.33 57.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.257 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -117.18 4.78 12.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.582 HG13 ' CE1' ' A' ' 95' ' ' HIS . 36.3 mm -120.82 -50.6 3.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.57 HD12 ' SG ' ' A' ' 104' ' ' CYS . 52.7 mt -98.24 -25.18 14.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.867 ' HA3' ' HG3' ' A' ' 42' ' ' PRO . . . 99.13 13.87 37.95 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 96' ' ' CYS . . . -164.91 -172.41 2.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 0.778 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.5 ' CG ' HG23 ' A' ' 93' ' ' THR . 14.5 t0 -93.08 122.53 35.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.359 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.57 ' SG ' HD12 ' A' ' 100' ' ' LEU . 35.8 m -59.37 162.24 4.92 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.031 -0.986 . . . . 0.0 109.531 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 6.7 t -78.39 141.41 61.38 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 109.997 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_endo -57.14 -15.65 18.8 Favored 'Trans proline' 0 N--CA 1.447 -1.257 0 C-N-CA 124.329 3.352 . . . . 0.0 109.585 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 60.1 p -85.57 -43.21 13.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.968 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -70.8 -9.9 58.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 110.245 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.571 ' HD2' ' CD1' ' A' ' 92' ' ' PHE . 0.6 OUTLIER -86.28 -62.65 1.47 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.349 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.794 ' HB2' ' HB2' ' A' ' 12' ' ' TYR . . . -56.47 -18.37 11.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 109.254 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -77.17 -52.36 9.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.254 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.718 ' CE2' HD22 ' A' ' 116' ' ' LEU . 57.0 t80 -61.53 -43.16 99.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.575 1.172 . . . . 0.0 110.985 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.547 HG22 HG22 ' A' ' 9' ' ' VAL . 1.4 mt -53.7 -34.44 24.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 118' ' ' THR . . . -71.15 -69.82 0.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -41.05 -27.66 0.07 Allowed 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 114.999 -1.001 . . . . 0.0 109.81 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.718 HD22 ' CE2' ' A' ' 112' ' ' PHE . 0.3 OUTLIER -79.61 -48.29 14.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.145 . . . . 0.0 109.331 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.884 ' O ' HD12 ' A' ' 117' ' ' LEU . 1.0 OUTLIER -85.72 12.9 7.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.266 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 114' ' ' ALA . 6.8 m . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.367 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.1 m . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.359 -0.237 . . . . 0.0 110.359 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.783 ' HB3' HD12 ' A' ' 85' ' ' ILE . 0.4 OUTLIER -78.24 -47.64 17.51 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.103 . . . . 0.0 109.28 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -49.65 -49.98 45.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -59.72 -44.87 93.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.112 . . . . 0.0 110.307 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 11' ' ' LYS . 1.7 mmtt -57.1 -47.91 79.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.672 HD21 ' CG1' ' A' ' 85' ' ' ILE . 9.9 mt -53.29 -53.5 49.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.667 HG21 HD21 ' A' ' 117' ' ' LEU . 93.2 t -59.08 -37.74 69.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -79.28 -6.71 57.3 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.864 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 14' ' ' ASN . 4.5 mmtt -102.73 -72.34 0.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.738 ' CB ' ' HB2' ' A' ' 110' ' ' ALA . 80.8 m-85 -46.14 -24.36 0.44 Allowed 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.807 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.42 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 11.6 m -73.33 -37.86 65.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.364 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 11' ' ' LYS . 3.8 m120 -66.44 -52.31 47.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.5 mt -52.33 -51.73 30.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.85 -57.46 9.28 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -57.28 -33.33 67.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.615 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 39.7 t -72.59 -8.21 54.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 110.031 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -112.78 -42.73 3.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.282 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -134.85 96.41 14.71 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_exo -44.51 -24.74 1.16 Allowed 'Trans proline' 0 N--CA 1.447 -1.257 0 C-N-CA 124.324 3.349 . . . . 0.0 109.615 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 3.5 mtt -60.65 -45.24 94.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.968 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -75.95 118.08 18.34 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.82 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -114.72 -44.56 3.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.584 ' HB1' ' CD ' ' A' ' 26' ' ' PRO . . . -136.79 172.88 6.23 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.165 . . . . 0.0 109.28 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.584 ' CD ' ' HB1' ' A' ' 25' ' ' ALA . 1.4 Cg_endo -85.58 -173.76 1.44 Allowed 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.287 3.325 . . . . 0.0 109.605 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.2 t -154.8 162.64 41.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.992 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.0 pt -118.23 48.47 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.294 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.67 HG22 ' O ' ' A' ' 29' ' ' THR . 14.1 m -160.78 36.82 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.42 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' A' ' 30' ' ' ASP . 0.0 OUTLIER -142.39 -46.14 0.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.086 . . . . 0.0 109.343 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 35' ' ' PHE . . . -49.09 -45.79 33.51 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.483 1.114 . . . . 0.0 111.005 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.494 ' HB3' ' CZ ' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -49.23 -51.13 35.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 0.79 . . . . 0.0 109.283 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.2 mt -62.91 -59.06 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.32 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -55.71 -16.44 4.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.585 ' CD1' ' HB2' ' A' ' 49' ' ' CYS . 89.6 t80 -111.03 4.05 19.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.42 ' OD1' ' O ' ' A' ' 35' ' ' PHE . 75.7 m-20 -140.42 24.24 2.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.356 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -106.87 100.31 9.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.34 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.6 ttmt -52.2 95.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.573 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 26.3 p90 -100.53 163.97 12.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -108.46 143.0 38.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 45' ' ' LYS . 25.3 p -96.69 153.4 38.74 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 110.417 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.754 ' HG3' ' HA3' ' A' ' 101' ' ' GLY . 61.2 Cg_endo -64.57 -7.95 15.91 Favored 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.321 3.347 . . . . 0.0 109.602 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 p -99.52 32.53 2.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.566 1.166 . . . . 0.0 109.971 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 46.31 72.32 0.41 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.412 ' O ' HG23 ' A' ' 41' ' ' THR . 11.0 ttpp -176.43 135.73 0.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 0.744 . . . . 0.0 109.292 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -91.38 151.73 20.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.322 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -163.0 -179.93 7.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.573 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -159.04 155.48 27.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.585 ' HB2' ' CD1' ' A' ' 35' ' ' PHE . 29.3 m -70.5 -8.52 51.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 108.298 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.45 ' HA ' ' O ' ' A' ' 54' ' ' THR . . . -105.41 2.83 29.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.408 ' HB2' ' O ' ' A' ' 48' ' ' ALA . 0.3 OUTLIER -82.57 -16.67 47.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.112 . . . . 0.0 110.025 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 68.2 m -125.95 -45.86 1.71 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.153 . . . . 0.0 108.297 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.506 ' O ' ' O ' ' A' ' 54' ' ' THR . 59.1 m-70 -92.68 18.54 8.62 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 114.975 -1.011 . . . . 0.0 109.783 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.506 ' O ' ' O ' ' A' ' 53' ' ' HIS . 36.5 p 49.55 171.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 110.389 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -52.48 -21.7 4.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -134.82 126.24 17.78 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.883 ' HB3' HD23 ' A' ' 73' ' ' LEU . 69.4 Cg_endo -70.56 -43.57 1.93 Allowed 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.301 3.334 . . . . 0.0 109.584 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.2 -18.67 4.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -89.23 171.24 9.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 73.0 t -71.07 135.83 27.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.253 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -110.24 -176.12 20.82 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.46 1.1 . . . . 0.0 110.938 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.3 tttt -161.02 133.99 6.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 0.743 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.651 ' ND2' HD11 ' A' ' 70' ' ' ILE . 80.7 m-20 -80.56 126.37 31.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.6 pt -84.51 7.42 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 55.4 t -86.61 -56.17 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.1 p -111.79 -33.42 6.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.43 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 84.33 40.03 8.73 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.485 1.116 . . . . 0.0 111.024 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.453 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 1.4 tppp? -77.83 -92.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 0.77 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.453 ' HB3' ' O ' ' A' ' 68' ' ' LYS . 13.0 pt-20 176.35 120.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.651 HD11 ' ND2' ' A' ' 63' ' ' ASN . 2.2 mm -111.61 127.86 26.26 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -77.63 167.49 24.04 Favored 'Trans proline' 0 N--CA 1.447 -1.221 0 C-N-CA 124.292 3.328 . . . . 0.0 109.594 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_exo -36.89 131.85 0.44 Allowed 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 124.323 3.349 . . . . 0.0 109.555 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.883 HD23 ' HB3' ' A' ' 57' ' ' PRO . 6.6 tp -82.57 -30.73 29.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.643 ' HA ' HD12 ' A' ' 116' ' ' LEU . . . -39.99 99.63 0.2 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.632 ' HB3' ' CD1' ' A' ' 82' ' ' PHE . 24.6 Cg_exo -62.94 -11.35 24.11 Favored 'Trans proline' 0 N--CA 1.448 -1.181 0 C-N-CA 124.312 3.342 . . . . 0.0 109.581 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.1 ttp85 -97.95 -45.63 6.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 110.278 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.496 ' HB ' ' HB3' ' A' ' 74' ' ' ALA . 19.6 t -48.32 -42.92 11.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.492 ' OD1' HG12 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -102.48 149.26 24.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.26 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.402 ' O ' ' OG1' ' A' ' 83' ' ' THR . 25.1 p -81.92 -45.4 15.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 110.382 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -72.14 59.27 0.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 49.6 mmt-85 -143.56 -90.98 0.12 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.55 1.157 . . . . 0.0 110.317 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.632 ' CD1' ' HB3' ' A' ' 75' ' ' PRO . 2.3 m-30 -80.46 48.54 1.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.97 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 79' ' ' THR . 32.0 m -87.85 -10.46 50.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.405 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.587 ' O ' HG23 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -130.67 117.61 19.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 109.339 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.783 HD12 ' HB3' ' A' ' 4' ' ' ASN . 7.4 tt -90.21 9.72 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.02 -76.89 0.44 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.467 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 3.3 tttt -48.01 -25.99 1.61 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.163 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 84' ' ' ASP . 1.4 t -41.21 -53.72 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -86.42 75.24 9.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 110.259 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -174.96 -71.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.482 ' HG3' ' N ' ' A' ' 92' ' ' PHE . 8.7 pt-20 -57.9 -35.65 71.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.576 ' CD1' ' HD2' ' A' ' 109' ' ' LYS . 0.1 OUTLIER -61.45 -30.23 70.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 110.947 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.563 HG23 ' CG ' ' A' ' 103' ' ' ASP . 1.1 m -85.65 -36.96 19.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.377 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.34 -28.63 65.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.551 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.3 t60 -67.14 -59.11 3.73 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.793 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.403 ' C ' ' O ' ' A' ' 102' ' ' ALA . 9.6 m -57.15 -23.26 46.16 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.617 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.451 ' HA ' ' N ' ' A' ' 102' ' ' ALA . 1.9 m-80 -81.76 -12.75 58.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.8 8.69 11.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.431 1.082 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.551 HG13 ' CE1' ' A' ' 95' ' ' HIS . 45.1 mm -126.01 -43.9 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.723 HD12 ' SG ' ' A' ' 104' ' ' CYS . 50.8 mt -105.18 -30.77 9.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.754 ' HA3' ' HG3' ' A' ' 42' ' ' PRO . . . 108.36 10.34 25.78 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.537 1.148 . . . . 0.0 110.983 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.451 ' N ' ' HA ' ' A' ' 97' ' ' ASN . . . -169.13 -175.85 2.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 0.73 . . . . 0.0 109.293 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.563 ' CG ' HG23 ' A' ' 93' ' ' THR . 9.9 t0 -85.9 124.68 32.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.723 ' SG ' HD12 ' A' ' 100' ' ' LEU . 56.2 m -61.0 160.81 9.26 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.584 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 29.2 t -71.73 143.76 87.5 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 0.0 110.0 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -57.31 -20.42 39.38 Favored 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 124.351 3.368 . . . . 0.0 109.589 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 60.1 p -81.32 -40.86 22.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.997 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -66.92 -18.71 65.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.321 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.576 ' HD2' ' CD1' ' A' ' 92' ' ' PHE . 1.2 tppp? -81.51 -59.19 2.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.738 ' HB2' ' CB ' ' A' ' 12' ' ' TYR . . . -56.63 -17.77 9.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.408 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 0.2 OUTLIER -81.86 -53.01 6.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.319 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.769 ' CZ ' HD21 ' A' ' 116' ' ' LEU . 77.0 t80 -57.2 -46.55 82.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 0.0 111.028 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.5 ' O ' HD23 ' A' ' 117' ' ' LEU . 1.5 mt -53.91 -34.49 25.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 111' ' ' ASN . . . -69.65 -65.51 0.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.494 ' CZ ' ' HB3' ' A' ' 32' ' ' LYS . 0.9 OUTLIER -49.66 -29.95 8.2 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.805 -179.912 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.769 HD21 ' CZ ' ' A' ' 112' ' ' PHE . 2.3 mm? -74.85 -44.12 50.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.743 ' O ' HD12 ' A' ' 117' ' ' LEU . 1.6 pp -86.37 10.15 15.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 24.1 m . . . . . 0 C--N 1.324 -0.534 0 O-C-N 124.54 1.15 . . . . 0.0 110.39 179.992 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.6 m . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.435 -0.209 . . . . 0.0 110.435 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -106.01 -67.09 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.259 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.781 ' O ' HG23 ' A' ' 9' ' ' VAL . . . -43.04 -32.76 0.71 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -70.01 -44.78 68.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 4' ' ' ASN . 0.1 OUTLIER -57.87 -47.28 83.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.411 HD11 ' CG1' ' A' ' 88' ' ' VAL . 6.2 mt -54.5 -53.4 54.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.26 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.781 HG23 ' O ' ' A' ' 5' ' ' ALA . 62.1 t -54.36 -53.01 33.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -71.33 -2.7 17.22 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.014 -0.993 . . . . 0.0 109.827 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 7' ' ' LYS . 26.7 mmtt -101.4 -72.96 0.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.735 ' CB ' ' HB2' ' A' ' 110' ' ' ALA . 92.4 m-85 -50.48 -22.06 1.76 Allowed 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.823 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.44 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 27.9 m -76.28 -45.7 31.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 110.397 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.423 ' O ' ' N ' ' A' ' 18' ' ' SER . 2.1 m120 -60.79 -51.11 70.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.4 mt -53.8 -46.22 62.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.07 -40.91 95.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.342 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.464 ' ND1' ' O ' ' A' ' 23' ' ' TYR . 13.8 t60 -71.23 -31.15 67.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.102 . . . . 0.0 109.658 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 14' ' ' ASN . 31.6 t -70.88 -16.68 62.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.102 . . . . 0.0 110.017 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -101.96 -31.06 10.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.259 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.452 ' ND2' ' SD ' ' A' ' 22' ' ' MET . 0.1 OUTLIER -141.87 114.03 6.49 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -77.2 48.55 2.56 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.283 3.322 . . . . 0.0 109.601 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.452 ' SD ' ' ND2' ' A' ' 20' ' ' ASN . 24.7 ptt? -151.54 39.08 0.64 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 111.047 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.464 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 51.3 t80 -150.49 122.47 8.21 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.816 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -101.0 -45.57 5.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.669 ' HB1' ' CD ' ' A' ' 26' ' ' PRO . . . -167.14 175.99 1.89 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.252 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.669 ' CD ' ' HB1' ' A' ' 25' ' ' ALA . 23.7 Cg_exo -68.69 -172.97 0.51 Allowed 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.326 3.351 . . . . 0.0 109.584 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.14 21.57 1.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.986 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 44.7 pt 43.91 49.56 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 109.324 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 92.5 m -127.94 -62.87 1.04 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.132 . . . . 0.0 110.431 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.84 -37.16 2.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.582 ' O ' ' CD2' ' A' ' 115' ' ' TYR . . . -69.22 58.94 0.59 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.485 1.116 . . . . 0.0 111.023 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.479 ' HG2' ' CZ ' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -161.67 -62.02 0.05 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.537 0.787 . . . . 0.0 109.304 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 22.7 mt -76.81 -49.3 23.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.613 ' CZ ' ' CD ' ' A' ' 108' ' ' GLU . 32.0 t80 -54.9 -19.83 7.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.604 ' CD1' ' CB ' ' A' ' 49' ' ' CYS . 87.0 t80 -109.23 4.09 22.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.424 ' OD1' ' O ' ' A' ' 35' ' ' PHE . 82.0 m-20 -142.21 27.89 1.73 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.418 1.074 . . . . 0.0 109.27 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 39' ' ' PHE . 2.3 tpm_? -105.11 94.47 5.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -45.41 94.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.589 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 25.6 p90 -107.51 158.24 17.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.976 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.89 139.89 41.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.423 ' HB ' ' HD2' ' A' ' 42' ' ' PRO . 30.0 p -87.95 154.78 52.72 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.428 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.781 ' HG3' ' HA3' ' A' ' 101' ' ' GLY . 44.9 Cg_endo -60.91 -7.98 8.76 Favored 'Trans proline' 0 N--CA 1.448 -1.202 0 C-N-CA 124.313 3.342 . . . . 0.0 109.604 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -102.21 32.49 3.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.021 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 45.8 79.6 0.06 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.56 1.162 . . . . 0.0 110.985 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 20.4 ttpt -174.88 129.46 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 0.742 . . . . 0.0 109.327 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -88.93 124.17 33.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.245 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -136.89 -171.07 2.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.589 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -171.72 154.33 3.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.107 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.604 ' CB ' ' CD1' ' A' ' 35' ' ' PHE . 22.0 m -70.69 -8.14 49.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 108.311 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.44 ' HA ' ' O ' ' A' ' 54' ' ' THR . . . -106.5 4.61 28.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.401 ' HB2' ' O ' ' A' ' 48' ' ' ALA . 0.3 OUTLIER -83.92 -20.17 33.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.964 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.412 ' HA ' ' O ' ' A' ' 62' ' ' LYS . 85.8 m -123.69 -47.73 1.94 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 108.248 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.51 ' O ' ' OG1' ' A' ' 54' ' ' THR . 56.6 m-70 -89.49 16.46 7.62 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 115.034 -0.984 . . . . 0.0 109.709 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.51 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 51.4 p 50.07 170.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 110.388 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -52.52 -25.71 11.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -129.01 124.76 22.56 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 109.313 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.462 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 60.2 Cg_endo -70.58 -37.97 6.58 Favored 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.301 3.334 . . . . 0.0 109.6 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.559 ' HA ' ' HB2' ' A' ' 74' ' ' ALA . . . -60.45 -14.22 18.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -91.61 173.66 7.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.336 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.3 t -75.5 121.86 28.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.478 ' HA2' HG23 ' A' ' 54' ' ' THR . . . -92.19 -174.85 42.2 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.536 1.147 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 52' ' ' CYS . 3.9 ttpm? -161.71 135.34 6.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 0.795 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.912 ' ND2' HD11 ' A' ' 70' ' ' ILE . 89.1 m-20 -85.24 131.28 34.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.3 pt -85.36 6.75 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 64.6 t -88.13 -52.33 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 76.7 p -109.46 -33.46 6.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 110.375 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 80.93 36.46 21.89 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.522 1.139 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.403 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 0.2 OUTLIER -83.63 -95.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 0.743 . . . . 0.0 109.264 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.403 ' HB3' ' O ' ' A' ' 68' ' ' LYS . 11.3 pt-20 -179.21 122.88 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.912 HD11 ' ND2' ' A' ' 63' ' ' ASN . 2.6 mm -109.39 106.7 58.94 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.41 ' HB2' ' NH2' ' A' ' 81' ' ' ARG . 78.4 Cg_exo -49.62 165.13 0.29 Allowed 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.29 3.327 . . . . 0.0 109.628 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.403 ' HD2' ' HB3' ' A' ' 71' ' ' PRO . 0.9 OUTLIER -41.61 127.44 3.38 Favored 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.306 3.338 . . . . 0.0 109.649 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 75' ' ' PRO . 5.3 tp -84.41 -28.46 26.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.275 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.559 ' HB2' ' HA ' ' A' ' 58' ' ' ALA . . . -37.1 96.51 0.11 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.618 ' HB3' ' CD1' ' A' ' 82' ' ' PHE . 21.9 Cg_exo -67.01 54.13 0.44 Allowed 'Trans proline' 0 N--CA 1.448 -1.187 0 C-N-CA 124.306 3.337 . . . . 0.0 109.568 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 10.0 ttt180 -166.05 -53.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.275 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 14.3 t -44.6 -41.92 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.456 ' N ' ' OD1' ' A' ' 78' ' ' ASN . 0.4 OUTLIER -92.01 153.09 19.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.2 p -93.49 3.46 55.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.38 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.76 45.16 2.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.41 ' NH2' ' HB2' ' A' ' 71' ' ' PRO . 28.9 mmt-85 -146.24 145.79 30.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 110.267 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.618 ' CD1' ' HB3' ' A' ' 75' ' ' PRO . 0.4 OUTLIER 56.34 44.39 24.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 111.033 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.745 HG22 ' O ' ' A' ' 83' ' ' THR . 1.4 m -121.88 58.71 1.01 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 110.39 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 85' ' ' ILE . 37.4 p-10 177.36 66.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.412 ' C ' ' O ' ' A' ' 84' ' ' ASP . 7.2 mt -39.48 -47.98 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.257 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -41.05 -57.98 1.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -101.16 98.01 8.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 109.262 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.411 ' CG1' HD11 ' A' ' 8' ' ' LEU . 0.5 OUTLIER 173.82 -34.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.155 . . . . 0.0 109.309 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -72.15 -46.82 54.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 110.295 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -74.75 -45.4 44.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -53.94 -20.75 6.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.345 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.583 ' CD1' ' HD2' ' A' ' 109' ' ' LYS . 0.1 OUTLIER -85.74 -25.23 26.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.459 HG23 ' OD2' ' A' ' 103' ' ' ASP . 1.0 OUTLIER -89.06 -30.49 18.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.427 1.08 . . . . 0.0 110.435 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.5 mmtt -76.67 -32.76 58.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.249 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.589 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.5 t60 -66.79 -58.54 4.85 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.019 -0.992 . . . . 0.0 109.75 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 41.5 m -56.45 -25.96 52.27 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.566 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.426 ' HA ' ' N ' ' A' ' 102' ' ' ALA . 1.6 m-80 -80.32 -12.3 59.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.89 7.67 12.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.589 HG13 ' CE1' ' A' ' 95' ' ' HIS . 47.3 mm -124.69 -45.59 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.255 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.429 ' O ' ' CD ' ' A' ' 42' ' ' PRO . 47.1 mt -103.66 -28.69 11.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.781 ' HA3' ' HG3' ' A' ' 42' ' ' PRO . . . 104.78 10.51 32.6 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.435 1.085 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.426 ' N ' ' HA ' ' A' ' 97' ' ' ASN . . . -164.2 -174.24 3.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 0.746 . . . . 0.0 109.306 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.459 ' OD2' HG23 ' A' ' 93' ' ' THR . 13.4 t0 -88.26 124.57 34.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.227 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 14.5 m -54.13 164.19 0.68 Allowed 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.605 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.495 ' O ' ' HG3' ' A' ' 108' ' ' GLU . 23.2 t -76.9 144.11 71.97 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.982 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.405 ' HD2' ' OG ' ' A' ' 105' ' ' SER . 66.8 Cg_endo -64.29 -10.08 22.36 Favored 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.288 3.325 . . . . 0.0 109.643 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 63.1 p -100.42 -46.91 5.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.013 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.613 ' CD ' ' CZ ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -66.9 -8.46 29.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.583 ' HD2' ' CD1' ' A' ' 92' ' ' PHE . 2.3 tppp? -92.63 -64.48 1.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.735 ' HB2' ' CB ' ' A' ' 12' ' ' TYR . . . -47.04 -25.06 0.74 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.424 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 0.4 OUTLIER -73.53 -58.13 3.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.885 ' CE2' HD11 ' A' ' 116' ' ' LEU . 45.8 t80 -51.53 -43.26 62.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 111.023 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.644 ' O ' HD23 ' A' ' 117' ' ' LEU . 1.8 mt -55.21 -34.28 32.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 117' ' ' LEU . . . -70.86 -65.86 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.582 ' CD2' ' O ' ' A' ' 31' ' ' GLY . 0.6 OUTLIER -44.37 -31.65 1.11 Allowed 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.863 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.885 HD11 ' CE2' ' A' ' 112' ' ' PHE . 16.9 mt -74.84 -42.2 58.42 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.874 ' O ' HD12 ' A' ' 117' ' ' LEU . 1.1 pp -92.07 28.61 1.82 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 2.4 m . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.428 179.955 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.556 ' O ' HG23 ' A' ' 3' ' ' THR . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.493 ' HA ' HD11 ' A' ' 85' ' ' ILE . 0.1 OUTLIER -105.02 -63.61 1.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.965 ' CB ' HD21 ' A' ' 117' ' ' LEU . . . -37.74 -52.31 1.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -43.85 -46.01 7.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 110.338 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.485 ' HE3' HG21 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -57.83 -55.18 38.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.478 HD22 ' CE2' ' A' ' 12' ' ' TYR . 9.9 mt -47.62 -45.77 27.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.522 HG22 HG22 ' A' ' 113' ' ' ILE . 89.5 t -57.34 -52.18 60.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -74.13 -0.12 15.63 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.837 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.5 tptt -100.87 -72.04 0.69 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.666 ' HB2' ' HB2' ' A' ' 110' ' ' ALA . 90.8 m-85 -53.52 -21.01 5.59 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.814 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.438 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 50.1 m -78.83 -50.49 11.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.442 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -58.72 -54.85 42.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.5 mt -49.18 -49.34 16.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.469 ' O ' ' ND2' ' A' ' 20' ' ' ASN . . . -56.52 -49.98 73.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.47 ' ND1' ' O ' ' A' ' 23' ' ' TYR . 9.8 t60 -61.92 -31.92 72.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.562 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 34.5 t -69.33 -12.26 61.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.117 . . . . 0.0 110.004 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -98.79 -39.29 8.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.504 ' N ' HD22 ' A' ' 20' ' ' ASN . 0.4 OUTLIER -144.89 134.29 11.38 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 0.0 109.311 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -82.37 52.69 4.2 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.289 3.326 . . . . 0.0 109.6 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 24.2 ptm -151.28 40.77 0.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.983 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.47 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 20.9 t80 -152.71 108.25 3.29 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.82 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -91.28 -48.15 7.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 110.278 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.635 ' HB1' ' CD ' ' A' ' 26' ' ' PRO . . . -156.37 175.02 3.45 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.635 ' CD ' ' HB1' ' A' ' 25' ' ' ALA . 7.0 Cg_exo -75.01 -170.09 0.73 Allowed 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.346 3.364 . . . . 0.0 109.573 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.0 t -137.9 160.8 38.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.003 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.3 pt -115.26 25.81 4.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 64.8 m -149.76 36.55 0.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.39 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 33' ' ' ILE . 7.8 t70 -145.62 -44.91 0.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.481 ' N ' HD21 ' A' ' 111' ' ' ASN . . . -47.89 -22.62 2.11 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.471 1.107 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.482 ' HB3' ' CZ ' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -72.94 -35.75 67.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 0.743 . . . . 0.0 109.268 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 30' ' ' ASP . 31.5 mt -71.3 -55.28 14.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -60.27 -13.33 12.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.52 ' CD1' ' CB ' ' A' ' 49' ' ' CYS . 89.2 t80 -112.33 4.52 17.71 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.095 . . . . 0.0 110.989 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.418 ' OD1' ' O ' ' A' ' 35' ' ' PHE . 73.7 m-20 -140.1 23.48 2.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.5 ttt85 -105.67 98.23 7.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.305 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.8 ttmt -51.61 95.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.245 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.547 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 26.2 p90 -99.12 164.73 12.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.75 148.39 26.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 67.1 p -104.61 154.04 38.76 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.398 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.779 ' HG3' ' HA3' ' A' ' 101' ' ' GLY . 72.3 Cg_endo -67.4 -4.88 12.68 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.304 3.336 . . . . 0.0 109.572 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 p -106.36 27.01 9.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.142 . . . . 0.0 109.998 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.409 ' O ' ' HB2' ' A' ' 45' ' ' LYS . . . 46.3 79.54 0.06 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.491 1.119 . . . . 0.0 110.961 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 44' ' ' GLY . 0.6 OUTLIER 176.31 95.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 0.785 . . . . 0.0 109.291 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.21 154.85 2.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.272 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -165.36 176.48 8.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.363 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.547 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -154.99 154.56 32.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.52 ' CB ' ' CD1' ' A' ' 35' ' ' PHE . 58.7 m -66.83 -10.67 50.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 108.322 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.443 ' HB1' ' HA ' ' A' ' 55' ' ' ASN . . . -105.49 7.01 32.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 91.1 p -76.56 -31.01 57.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.414 1.071 . . . . 0.0 110.011 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 63.9 m -117.17 -45.55 2.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 108.3 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.514 ' O ' ' OG1' ' A' ' 54' ' ' THR . 67.4 m-70 -84.51 13.96 5.02 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.73 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.514 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 74.0 p 50.72 170.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 110.442 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.443 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 5.8 p30 -55.15 -21.64 14.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -130.3 125.05 21.6 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -72.17 -45.34 0.67 Allowed 'Trans proline' 0 N--CA 1.447 -1.245 0 C-N-CA 124.285 3.324 . . . . 0.0 109.625 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.632 ' HA ' ' HB2' ' A' ' 74' ' ' ALA . . . -55.48 -17.95 6.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -85.71 172.73 10.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.251 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 70.3 t -77.29 120.1 27.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 109.325 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.488 ' HA2' HG23 ' A' ' 54' ' ' THR . . . -90.4 -175.85 44.71 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.526 1.142 . . . . 0.0 111.051 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.3 ttmm -159.38 136.91 9.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.429 0.723 . . . . 0.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.932 ' ND2' HD11 ' A' ' 70' ' ' ILE . 86.5 m-20 -87.1 130.8 34.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.261 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.0 pt -84.76 8.14 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 53.4 t -89.8 -53.68 8.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.264 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 77.6 p -108.64 -31.76 7.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.343 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 78.77 37.15 27.05 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.515 1.134 . . . . 0.0 111.025 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.1 mmtt -84.26 -95.32 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 0.774 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -178.71 122.67 0.09 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.123 . . . . 0.0 110.317 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.932 HD11 ' ND2' ' A' ' 63' ' ' ASN . 3.1 mm -108.81 105.65 57.43 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -48.86 164.8 0.21 Allowed 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.333 3.355 . . . . 0.0 109.555 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -42.69 128.75 5.03 Favored 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.294 3.329 . . . . 0.0 109.616 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 75' ' ' PRO . 5.7 tp -85.06 -23.85 28.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.632 ' HB2' ' HA ' ' A' ' 58' ' ' ALA . . . -37.17 97.4 0.13 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.625 ' HB3' ' CD1' ' A' ' 82' ' ' PHE . 21.6 Cg_exo -66.38 55.01 0.4 Allowed 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.333 3.355 . . . . 0.0 109.595 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 74' ' ' ALA . 3.4 ttt180 -169.72 -51.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.319 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 18.2 t -46.22 -42.15 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.478 ' N ' ' OD1' ' A' ' 78' ' ' ASN . 0.2 OUTLIER -97.17 146.33 25.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 19.7 p -80.14 -24.2 40.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.417 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp -93.03 46.37 1.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.117 . . . . 0.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 64.3 mmt-85 -146.27 142.72 28.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.278 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.625 ' CD1' ' HB3' ' A' ' 75' ' ' PRO . 0.8 OUTLIER 53.29 40.47 31.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 111.023 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.729 HG22 ' O ' ' A' ' 83' ' ' THR . 1.4 m -117.8 58.4 0.8 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.372 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 46.2 p-10 176.2 65.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.493 HD11 ' HA ' ' A' ' 4' ' ' ASN . 96.8 mt -41.25 -48.92 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -42.23 -56.7 2.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 11.6 tttt -102.55 92.99 4.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.31 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER 175.85 -35.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.45 -12.99 60.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.299 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -99.55 -48.57 4.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.258 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -55.72 -33.71 64.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.324 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.571 ' CD1' ' HD2' ' A' ' 109' ' ' LYS . 0.1 OUTLIER -66.35 -26.73 67.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 110.991 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.462 HG23 ' CG ' ' A' ' 103' ' ' ASP . 1.2 m -89.69 -34.76 16.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.406 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.04 -29.25 63.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.57 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.3 t60 -67.65 -58.11 5.24 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.802 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.412 ' C ' ' O ' ' A' ' 102' ' ' ALA . 5.9 m -55.81 -23.82 32.56 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.588 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.459 ' HA ' ' N ' ' A' ' 102' ' ' ALA . 2.2 m-80 -80.38 -13.69 58.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -117.57 4.21 12.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.57 HG13 ' CE1' ' A' ' 95' ' ' HIS . 20.4 mm -119.05 -49.81 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.669 HD12 ' SG ' ' A' ' 104' ' ' CYS . 50.2 mt -100.41 -26.25 13.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.779 ' HA3' ' HG3' ' A' ' 42' ' ' PRO . . . 103.56 11.34 33.41 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.538 1.149 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.459 ' N ' ' HA ' ' A' ' 97' ' ' ASN . . . -168.8 -174.84 2.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 0.767 . . . . 0.0 109.258 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.462 ' CG ' HG23 ' A' ' 93' ' ' THR . 30.1 t0 -84.71 126.76 33.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.669 ' SG ' HD12 ' A' ' 100' ' ' LEU . 55.0 m -64.69 161.04 18.62 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 114.966 -1.016 . . . . 0.0 109.59 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.473 ' HB3' ' CG ' ' A' ' 108' ' ' GLU . 33.2 t -66.46 143.73 98.35 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.441 1.088 . . . . 0.0 110.008 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -60.06 -20.39 60.69 Favored 'Trans proline' 0 N--CA 1.447 -1.246 0 C-N-CA 124.332 3.354 . . . . 0.0 109.599 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 64.4 p -88.92 -43.12 11.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.958 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.473 ' CG ' ' HB3' ' A' ' 105' ' ' SER . 9.1 mm-40 -59.05 -15.61 14.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.571 ' HD2' ' CD1' ' A' ' 92' ' ' PHE . 2.4 tppt? -80.64 -65.11 1.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.666 ' HB2' ' HB2' ' A' ' 12' ' ' TYR . . . -53.17 -20.59 4.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.481 HD21 ' N ' ' A' ' 31' ' ' GLY . 0.6 OUTLIER -73.87 -37.2 64.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.891 ' CZ ' HD11 ' A' ' 116' ' ' LEU . 40.5 t80 -79.45 -44.74 20.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.967 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.522 HG22 HG22 ' A' ' 9' ' ' VAL . 2.5 mt -54.95 -43.63 69.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 115' ' ' TYR . . . -60.26 -70.11 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.482 ' CZ ' ' HB3' ' A' ' 32' ' ' LYS . 1.5 t80 -38.02 -47.42 1.1 Allowed 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.807 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.891 HD11 ' CZ ' ' A' ' 112' ' ' PHE . 27.5 mt -59.95 -64.75 0.84 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.965 HD21 ' CB ' ' A' ' 5' ' ' ALA . 59.2 mt -41.7 -37.56 1.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.382 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 48.6 m . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.502 ' HB3' ' CG1' ' A' ' 85' ' ' ILE . 0.6 OUTLIER -78.07 -47.41 18.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.506 ' O ' HG23 ' A' ' 9' ' ' VAL . . . -57.01 -48.22 79.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -64.17 -34.96 79.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 110.328 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.8 tptp -63.93 -49.37 72.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.347 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.642 HD21 HG23 ' A' ' 85' ' ' ILE . 10.6 mt -52.31 -50.11 62.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.507 HG21 HD21 ' A' ' 117' ' ' LEU . 59.5 t -55.88 -56.51 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -63.88 -10.35 20.25 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.862 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.421 ' HG3' HD12 ' A' ' 15' ' ' ILE . 23.1 tptt -95.33 -73.81 0.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.755 ' CB ' ' HB2' ' A' ' 110' ' ' ALA . 73.9 m-85 -48.45 -23.72 1.04 Allowed 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.979 -1.009 . . . . 0.0 109.785 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.456 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 54.7 m -77.31 -53.05 8.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.108 . . . . 0.0 110.363 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.409 ' O ' ' N ' ' A' ' 18' ' ' SER . 2.3 t30 -56.58 -56.01 26.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.421 HD12 ' HG3' ' A' ' 11' ' ' LYS . 3.7 mt -47.59 -50.11 9.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.2 -46.97 87.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.27 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.463 ' ND1' ' O ' ' A' ' 23' ' ' TYR . 71.0 t60 -62.7 -31.5 72.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.656 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 14' ' ' ASN . 42.4 t -71.64 -18.47 62.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 110.055 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -100.53 -24.53 14.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.423 ' ND2' ' HG2' ' A' ' 22' ' ' MET . 0.1 OUTLIER -146.65 114.51 4.4 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -78.78 42.92 1.35 Allowed 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 124.291 3.328 . . . . 0.0 109.585 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.423 ' HG2' ' ND2' ' A' ' 20' ' ' ASN . 4.3 ptt? -145.45 34.33 1.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 111.027 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.463 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 63.3 t80 -153.67 111.4 3.53 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.001 -1.0 . . . . 0.0 109.818 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -91.64 -48.76 6.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.636 ' HB1' ' CD ' ' A' ' 26' ' ' PRO . . . -167.01 174.76 2.4 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.636 ' CD ' ' HB1' ' A' ' 25' ' ' ALA . 7.1 Cg_exo -74.8 -169.16 0.58 Allowed 'Trans proline' 0 N--CA 1.448 -1.193 0 C-N-CA 124.286 3.324 . . . . 0.0 109.569 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.98 22.65 0.57 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.015 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.405 ' HB ' HG21 ' A' ' 118' ' ' THR . 37.8 pt 42.86 36.09 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.352 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.55 HG22 ' O ' ' A' ' 29' ' ' THR . 2.8 m -138.42 11.31 2.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.433 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.29 -33.34 5.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.596 ' O ' ' CD2' ' A' ' 115' ' ' TYR . . . -75.87 56.75 3.08 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.539 1.149 . . . . 0.0 110.96 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.77 -66.72 0.4 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 0.771 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 12.9 mt -63.34 -49.91 80.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.37 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.623 ' CE2' ' OE1' ' A' ' 108' ' ' GLU . 38.4 t80 -56.35 -20.31 18.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.525 ' CE2' ' HD3' ' A' ' 57' ' ' PRO . 86.6 t80 -109.14 5.91 24.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.944 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.41 ' OD1' ' O ' ' A' ' 35' ' ' PHE . 75.3 m-20 -140.21 23.23 2.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.25 105.1 15.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.315 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -57.64 93.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.566 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 24.5 p90 -98.17 163.59 12.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.4 tttm -107.89 142.56 37.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.459 HG23 ' O ' ' A' ' 45' ' ' LYS . 21.5 p -97.52 153.97 38.14 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.43 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.777 ' HG3' ' HA3' ' A' ' 101' ' ' GLY . 60.2 Cg_endo -64.22 -8.17 15.8 Favored 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.271 3.314 . . . . 0.0 109.621 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.8 p -103.17 34.31 2.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.967 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 40.17 79.2 0.05 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.509 1.13 . . . . 0.0 110.993 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.459 ' O ' HG23 ' A' ' 41' ' ' THR . 7.7 tttm 178.44 105.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.771 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.76 152.63 35.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.42 1.075 . . . . 0.0 110.309 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -164.23 178.98 7.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.566 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -158.03 155.26 29.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.53 ' O ' ' HB2' ' A' ' 53' ' ' HIS . 60.8 m -68.91 -10.35 56.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 108.28 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.458 ' HB1' ' HA ' ' A' ' 55' ' ' ASN . . . -106.61 8.72 31.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.2 p -75.79 -37.26 59.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.005 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 28.6 m -113.13 -42.54 3.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 108.303 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.53 ' HB2' ' O ' ' A' ' 49' ' ' CYS . 66.6 m-70 -84.56 12.52 6.88 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.745 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.519 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 41.1 p 50.36 171.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.374 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.458 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 5.4 p30 -52.32 -21.56 3.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -136.31 126.83 16.48 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.332 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.525 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 63.4 Cg_endo -70.29 -44.23 1.82 Allowed 'Trans proline' 0 N--CA 1.447 -1.255 0 C-N-CA 124.35 3.367 . . . . 0.0 109.59 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.485 ' HA ' ' HB2' ' A' ' 74' ' ' ALA . . . -53.75 -18.8 3.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.271 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -87.11 175.7 7.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 109.338 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 77.5 t -75.92 127.85 37.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -100.64 -174.45 29.57 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.476 1.11 . . . . 0.0 110.962 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -163.25 135.7 5.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.758 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.827 ' ND2' HD11 ' A' ' 70' ' ' ILE . 90.1 m-20 -83.9 129.97 34.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 6.8 pt -84.35 6.21 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 60.5 t -87.6 -55.61 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 50.0 p -106.39 -33.78 7.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.396 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 81.88 36.07 19.93 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.469 1.106 . . . . 0.0 110.982 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.1 mmtt -81.98 -95.78 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 0.758 . . . . 0.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -178.85 123.92 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 110.294 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.827 HD11 ' ND2' ' A' ' 63' ' ' ASN . 2.7 mm -113.86 101.49 53.92 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.42 ' HB3' ' HD2' ' A' ' 72' ' ' PRO . 83.2 Cg_exo -49.83 167.38 0.2 Allowed 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.337 3.358 . . . . 0.0 109.583 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.42 ' HD2' ' HB3' ' A' ' 71' ' ' PRO . 68.7 Cg_exo -37.58 135.31 0.49 Allowed 'Trans proline' 0 N--CA 1.447 -1.246 0 C-N-CA 124.275 3.317 . . . . 0.0 109.62 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 75' ' ' PRO . 11.6 tp -91.61 -21.62 20.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.656 ' HB3' ' HB ' ' A' ' 77' ' ' VAL . . . -36.8 98.5 0.16 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.923 ' HD3' HD12 ' A' ' 116' ' ' LEU . 34.3 Cg_exo -61.27 -11.81 20.82 Favored 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.273 3.315 . . . . 0.0 109.621 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 -101.07 -47.96 4.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.656 ' HB ' ' HB3' ' A' ' 74' ' ' ALA . 37.4 t -49.14 -42.45 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.543 ' OD1' HG12 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -107.54 115.75 30.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.125 . . . . 0.0 109.333 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.17 -10.7 24.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 110.407 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.4 mtpt -101.08 35.93 2.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.262 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.604 ' O ' ' CD1' ' A' ' 82' ' ' PHE . 0.8 OUTLIER -147.01 43.06 1.14 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 110.343 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.642 ' CD1' ' HB3' ' A' ' 75' ' ' PRO . 0.3 OUTLIER 162.05 39.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 111.034 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.43 HG22 ' O ' ' A' ' 83' ' ' THR . 64.2 m -111.85 49.91 0.87 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.36 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 63.7 t0 177.45 71.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.642 HG23 HD21 ' A' ' 8' ' ' LEU . 20.7 mt -40.36 -45.29 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -49.47 -54.17 19.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -93.04 81.98 4.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER 178.65 -36.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.12 -37.72 53.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 110.269 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -75.32 -45.54 38.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -57.41 -35.06 69.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 0.0 110.304 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.554 ' CG ' ' HD2' ' A' ' 109' ' ' LYS . 0.1 OUTLIER -66.5 -22.98 66.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 111.003 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.628 HG23 ' OD2' ' A' ' 103' ' ' ASP . 1.2 m -90.0 -38.11 13.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.37 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.6 mmmt -71.15 -30.36 66.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.517 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.4 t60 -68.22 -60.0 2.8 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 114.955 -1.021 . . . . 0.0 109.771 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 102' ' ' ALA . 10.7 m -55.21 -21.8 15.32 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.574 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -85.69 -11.39 53.86 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.435 ' O ' HD13 ' A' ' 99' ' ' ILE . 2.3 t0 -119.05 9.77 11.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.423 1.077 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.517 HG13 ' CE1' ' A' ' 95' ' ' HIS . 48.8 mm -126.53 -46.69 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.44 HD12 ' SG ' ' A' ' 104' ' ' CYS . 70.5 mt -101.95 -32.37 10.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.777 ' HA3' ' HG3' ' A' ' 42' ' ' PRO . . . 107.72 13.53 20.04 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.547 1.154 . . . . 0.0 110.966 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 96' ' ' CYS . . . -166.04 -173.17 2.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 0.762 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.628 ' OD2' HG23 ' A' ' 93' ' ' THR . 6.0 t0 -91.71 124.7 36.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.44 ' SG ' HD12 ' A' ' 100' ' ' LEU . 35.8 m -59.44 162.95 4.39 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.585 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.472 ' O ' ' HG3' ' A' ' 108' ' ' GLU . 80.8 p -74.51 149.92 86.62 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.991 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -65.92 -8.29 19.38 Favored 'Trans proline' 0 N--CA 1.448 -1.177 0 C-N-CA 124.262 3.308 . . . . 0.0 109.597 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 64.6 p -92.97 -44.26 8.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.022 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.623 ' OE1' ' CE2' ' A' ' 34' ' ' PHE . 1.0 OUTLIER -65.69 -27.12 68.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.752 ' O ' HD12 ' A' ' 113' ' ' ILE . 0.3 OUTLIER -63.69 -60.05 3.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.755 ' HB2' ' CB ' ' A' ' 12' ' ' TYR . . . -55.72 -36.57 67.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' A' ' 114' ' ' ALA . 7.1 t-20 -56.82 -68.52 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.549 ' CE2' ' HG ' ' A' ' 116' ' ' LEU . 52.2 t80 -44.16 -44.75 7.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.896 ' O ' HD23 ' A' ' 117' ' ' LEU . 1.6 mt -55.41 -37.25 44.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.256 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 117' ' ' LEU . . . -65.47 -74.26 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.596 ' CD2' ' O ' ' A' ' 31' ' ' GLY . 0.2 OUTLIER -40.72 -44.64 2.24 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.841 -179.89 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.923 HD12 ' HD3' ' A' ' 75' ' ' PRO . 3.5 mm? -61.4 -44.97 96.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.896 HD23 ' O ' ' A' ' 113' ' ' ILE . 1.0 OUTLIER -91.78 33.59 1.03 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.405 HG21 ' HB ' ' A' ' 28' ' ' ILE . 1.4 m . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.404 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.2 m . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.523 ' N ' ' ND2' ' A' ' 4' ' ' ASN . 0.3 OUTLIER -80.14 -48.95 12.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.556 ' O ' HG23 ' A' ' 9' ' ' VAL . . . -48.92 -49.32 40.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 -66.52 -30.45 70.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.297 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.744 ' HE3' HG21 ' A' ' 85' ' ' ILE . 0.1 OUTLIER -70.36 -46.36 64.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.445 HD22 ' CE2' ' A' ' 12' ' ' TYR . 12.3 mt -55.88 -46.7 78.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 5' ' ' ALA . 91.5 t -56.94 -55.62 19.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -67.52 -6.09 18.16 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.855 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.404 ' CG ' ' HD3' ' A' ' 7' ' ' LYS . 1.3 mmtm -97.13 -73.67 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.733 ' HB3' ' HB2' ' A' ' 110' ' ' ALA . 84.2 m-85 -50.81 -21.72 1.81 Allowed 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.823 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.461 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 22.0 m -75.56 -47.09 28.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.388 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -61.22 -52.5 64.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.7 mt -52.64 -44.24 45.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.248 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.29 -38.53 87.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 0.0 109.306 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.46 ' ND1' ' O ' ' A' ' 23' ' ' TYR . 12.2 t60 -74.67 -29.65 61.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.14 . . . . 0.0 109.561 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 45.3 t -70.21 -6.32 33.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.999 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -114.86 -43.18 3.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.402 ' OD1' ' HD2' ' A' ' 21' ' ' PRO . 62.2 t-20 -126.65 118.95 22.78 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.402 ' HD2' ' OD1' ' A' ' 20' ' ' ASN . 98.1 Cg_endo -78.87 38.81 0.74 Allowed 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.273 3.315 . . . . 0.0 109.62 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -141.26 34.22 1.7 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 111.002 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.46 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 14.2 t80 -139.61 108.62 6.02 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.811 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -96.61 -48.02 5.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -164.13 153.77 12.34 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -51.33 176.14 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.363 3.375 . . . . 0.0 109.621 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.1 20.58 2.1 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 0.0 110.046 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 32.5 pt 40.8 47.65 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.243 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 30' ' ' ASP . 93.5 m -127.51 -70.39 0.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 110.414 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.3 OUTLIER -39.9 -33.29 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.583 ' O ' ' CD2' ' A' ' 115' ' ' TYR . . . -76.17 58.55 3.19 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.544 1.153 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.444 ' HG2' ' CZ ' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -157.69 -63.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 0.78 . . . . 0.0 109.348 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 43.7 mt -72.32 -47.78 51.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.595 ' CD1' ' OE1' ' A' ' 108' ' ' GLU . 25.3 t80 -55.34 -21.77 16.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 111.007 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.579 ' CD1' ' HB2' ' A' ' 49' ' ' CYS . 87.8 t80 -106.9 8.94 30.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 111.036 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -145.86 26.73 1.23 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 39' ' ' PHE . 2.6 tpm_? -108.03 97.47 7.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.277 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -49.31 94.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.572 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 24.7 p90 -100.79 164.17 11.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -104.97 148.79 26.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 23.6 p -106.44 153.18 40.66 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.353 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.822 ' HG3' ' HA3' ' A' ' 101' ' ' GLY . 95.9 Cg_endo -69.89 -4.08 13.4 Favored 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.298 3.332 . . . . 0.0 109.563 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.492 ' OG ' ' CE ' ' A' ' 45' ' ' LYS . 23.6 p -87.46 -11.37 49.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.972 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.456 ' O ' ' CD ' ' A' ' 45' ' ' LYS . . . 91.35 67.95 1.16 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.471 1.107 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.492 ' CE ' ' OG ' ' A' ' 43' ' ' SER . 0.0 OUTLIER 172.41 146.19 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 0.723 . . . . 0.0 109.266 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.7 154.27 19.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.346 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -158.44 -169.23 2.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.572 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -169.71 154.13 5.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.254 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.579 ' HB2' ' CD1' ' A' ' 35' ' ' PHE . 29.8 m -70.56 -9.0 55.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 108.317 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.444 ' O ' ' HA ' ' A' ' 54' ' ' THR . . . -105.03 2.76 29.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.414 ' HB2' ' O ' ' A' ' 48' ' ' ALA . 0.3 OUTLIER -82.33 -17.39 45.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.005 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 64.8 m -124.97 -46.07 1.85 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 108.325 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.498 ' O ' ' OG1' ' A' ' 54' ' ' THR . 66.6 m-70 -91.96 17.23 9.57 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.034 -0.985 . . . . 0.0 109.741 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.498 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 45.2 p 49.75 172.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.411 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -53.59 -23.96 12.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.346 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 19.1 t30 -131.6 123.96 19.69 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.359 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.66 ' CB ' HD23 ' A' ' 73' ' ' LEU . 57.7 Cg_endo -69.66 -36.86 10.27 Favored 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.341 3.361 . . . . 0.0 109.603 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.586 ' HA ' ' HB2' ' A' ' 74' ' ' ALA . . . -61.57 -13.15 19.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -93.11 174.34 7.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.7 t -75.43 121.81 27.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.352 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.494 ' HA2' HG23 ' A' ' 54' ' ' THR . . . -91.69 -174.63 42.92 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.2 ttmt -160.35 133.42 6.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 0.764 . . . . 0.0 109.306 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.963 ' ND2' HD11 ' A' ' 70' ' ' ILE . 83.2 m-20 -85.86 129.99 34.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 6.6 pt -83.93 5.91 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 0.0 109.27 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 79.4 t -86.22 -55.02 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 71.9 p -109.09 -34.98 6.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.571 1.17 . . . . 0.0 110.389 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 82.05 35.86 20.03 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.5 mmtm -81.65 -93.99 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 0.769 . . . . 0.0 109.306 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -178.51 122.46 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 110.284 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.963 HD11 ' ND2' ' A' ' 63' ' ' ASN . 3.0 mm -107.18 106.85 59.43 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.404 ' HB3' ' HD2' ' A' ' 72' ' ' PRO . 71.0 Cg_exo -50.31 165.84 0.34 Allowed 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 124.323 3.349 . . . . 0.0 109.605 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.446 ' O ' ' ND2' ' A' ' 78' ' ' ASN . 1.6 Cg_endo -42.68 125.56 3.85 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.328 3.352 . . . . 0.0 109.576 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.66 HD23 ' CB ' ' A' ' 57' ' ' PRO . 8.5 tp -76.96 -29.84 55.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.667 ' HB3' ' HB ' ' A' ' 77' ' ' VAL . . . -39.12 99.6 0.2 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.613 ' HB3' ' CD1' ' A' ' 82' ' ' PHE . 24.8 Cg_exo -63.12 -14.72 43.45 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.289 3.326 . . . . 0.0 109.573 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -97.76 -44.79 6.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 110.292 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.667 ' HB ' ' HB3' ' A' ' 74' ' ' ALA . 24.2 t -53.73 -41.3 46.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 72' ' ' PRO . 0.4 OUTLIER -95.07 136.54 35.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.6 p -84.06 -5.97 59.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.362 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.09 40.52 1.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.487 ' CB ' ' HA ' ' A' ' 75' ' ' PRO . 48.2 mmt-85 -142.57 168.2 20.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.263 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.613 ' CD1' ' HB3' ' A' ' 75' ' ' PRO . 2.9 m-30 37.88 53.77 1.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.988 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 90.8 m -100.89 -60.89 1.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.395 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -86.86 106.62 17.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.744 HG21 ' HE3' ' A' ' 7' ' ' LYS . 8.6 mt -64.94 -56.09 17.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -40.04 -48.15 2.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.1 mttp -94.18 78.78 4.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER 175.68 -34.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 90' ' ' ASP . 0.2 OUTLIER -66.15 -29.76 70.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.401 ' N ' ' HG3' ' A' ' 89' ' ' GLU . 4.1 m-20 -93.95 -44.75 7.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.44 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 3.5 mm-40 -52.93 -19.83 2.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.09 . . . . 0.0 110.323 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.15 -26.29 28.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.949 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.611 HG23 ' CG ' ' A' ' 103' ' ' ASP . 1.1 m -88.9 -37.17 15.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 0.0 110.429 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.77 -28.61 66.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.566 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.4 t60 -67.64 -59.09 3.62 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 115.01 -0.996 . . . . 0.0 109.786 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.417 ' C ' ' O ' ' A' ' 102' ' ' ALA . 4.0 m -56.77 -23.89 46.28 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.558 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.431 ' HA ' ' N ' ' A' ' 102' ' ' ALA . 1.9 m-80 -81.16 -13.0 59.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -117.38 4.81 12.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.566 HG13 ' CE1' ' A' ' 95' ' ' HIS . 37.3 mm -121.11 -48.2 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.6 HD12 ' SG ' ' A' ' 104' ' ' CYS . 42.4 mt -101.03 -25.83 13.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 0.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.822 ' HA3' ' HG3' ' A' ' 42' ' ' PRO . . . 100.66 12.05 39.05 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.507 1.13 . . . . 0.0 110.987 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.431 ' N ' ' HA ' ' A' ' 97' ' ' ASN . . . -163.9 -171.25 2.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 0.774 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.611 ' CG ' HG23 ' A' ' 93' ' ' THR . 13.9 t0 -93.42 124.18 37.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.6 ' SG ' HD12 ' A' ' 100' ' ' LEU . 55.6 m -63.35 161.61 13.75 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.57 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.501 ' OG ' ' CG ' ' A' ' 108' ' ' GLU . 60.3 p -75.45 145.8 79.95 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 110.0 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -61.35 -12.29 23.22 Favored 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.283 3.322 . . . . 0.0 109.583 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 59.6 p -90.53 -45.19 9.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.042 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.595 ' OE1' ' CD1' ' A' ' 34' ' ' PHE . 3.4 mm-40 -62.29 -16.94 57.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.312 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.454 ' C ' ' N ' ' A' ' 111' ' ' ASN . 3.6 mttp -91.97 -64.19 1.14 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.265 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.733 ' HB2' ' HB3' ' A' ' 12' ' ' TYR . . . -42.53 -27.22 0.15 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.454 ' N ' ' C ' ' A' ' 109' ' ' LYS . 0.3 OUTLIER -81.07 -59.17 2.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.706 ' CE2' HD22 ' A' ' 116' ' ' LEU . 86.2 t80 -41.13 -46.78 3.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.532 HG22 HG22 ' A' ' 9' ' ' VAL . 2.0 mt -56.85 -46.61 83.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 111' ' ' ASN . . . -51.63 -68.17 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.583 ' CD2' ' O ' ' A' ' 31' ' ' GLY . 0.4 OUTLIER -47.38 -27.75 1.78 Allowed 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.852 -179.921 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.706 HD22 ' CE2' ' A' ' 112' ' ' PHE . 1.2 tp -77.28 -40.03 45.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.523 ' CD2' ' HB1' ' A' ' 5' ' ' ALA . 7.2 mt -66.54 -37.45 85.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.39 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.0 m . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.587 ' HB3' HD11 ' A' ' 85' ' ' ILE . 0.2 OUTLIER -81.69 -49.62 10.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.313 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.539 ' O ' HG23 ' A' ' 9' ' ' VAL . . . -48.13 -46.83 34.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.4 ' OE2' ' O ' ' A' ' 6' ' ' GLU . 7.4 tp10 -53.6 -44.36 69.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.269 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.575 ' HE3' HG21 ' A' ' 85' ' ' ILE . 0.1 OUTLIER -57.26 -56.32 23.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.3 mt -45.68 -47.25 15.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.802 HG21 HD21 ' A' ' 117' ' ' LEU . 58.1 t -58.5 -51.56 70.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -71.89 -2.18 16.98 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.84 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.7 tptt -101.28 -73.23 0.65 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.781 ' HB2' ' HB2' ' A' ' 110' ' ' ALA . 82.2 m-85 -50.64 -22.15 1.91 Allowed 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 114.961 -1.018 . . . . 0.0 109.845 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.504 ' CG2' ' O ' ' A' ' 24' ' ' GLU . 27.9 m -76.3 -47.04 25.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.426 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -60.59 -53.34 58.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.9 mt -50.39 -50.67 20.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.21 -53.42 56.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.266 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -58.91 -32.65 69.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.566 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 36.0 t -72.31 -12.77 61.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 110.009 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -108.14 -39.88 5.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.25 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 42.7 m-20 -135.66 94.66 14.81 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.327 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -50.43 -20.59 6.19 Favored 'Trans proline' 0 N--CA 1.447 -1.214 0 C-N-CA 124.349 3.366 . . . . 0.0 109.567 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.42 ' HG3' ' N ' ' A' ' 23' ' ' TYR . 8.0 ptm -70.34 -24.74 63.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.094 . . . . 0.0 111.027 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.42 ' N ' ' HG3' ' A' ' 22' ' ' MET . 46.4 t80 -95.8 123.57 39.44 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.811 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.504 ' O ' ' CG2' ' A' ' 13' ' ' THR . 2.9 mm-40 -116.01 -42.83 3.03 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 110.284 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.628 ' HB1' ' CD ' ' A' ' 26' ' ' PRO . . . -161.67 174.48 3.72 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.628 ' CD ' ' HB1' ' A' ' 25' ' ' ALA . 6.7 Cg_exo -75.3 -179.81 5.41 Favored 'Trans proline' 0 N--CA 1.447 -1.257 0 C-N-CA 124.33 3.353 . . . . 0.0 109.631 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.4 13.41 2.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.006 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.41 HG21 HG21 ' A' ' 118' ' ' THR . 32.0 pt 41.98 50.32 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.35 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.7 HG22 ' O ' ' A' ' 29' ' ' THR . 3.9 m -162.56 37.44 0.11 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 110.379 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -143.26 -49.27 0.32 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.474 ' O ' ' N ' ' A' ' 35' ' ' PHE . . . -42.64 -49.29 5.94 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.449 1.093 . . . . 0.0 111.016 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.39 -72.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 0.754 . . . . 0.0 109.321 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.9 mt -50.01 -44.09 21.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -64.91 -14.18 59.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 111.018 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.544 ' CD1' ' CB ' ' A' ' 49' ' ' CYS . 76.9 t80 -110.92 6.75 21.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.961 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -140.28 23.04 2.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -95.77 103.48 15.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -58.04 87.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.569 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 19.1 p90 -100.51 154.77 18.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.148 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.9 tttm -104.52 139.74 38.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 109.315 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.402 ' HB ' ' HD2' ' A' ' 42' ' ' PRO . 58.6 p -82.37 153.66 68.7 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.406 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.814 ' HG3' ' HA3' ' A' ' 101' ' ' GLY . 60.3 Cg_endo -64.27 -7.6 14.36 Favored 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 124.268 3.312 . . . . 0.0 109.637 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.0 p -101.78 29.66 4.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.026 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.405 ' O ' ' HB2' ' A' ' 45' ' ' LYS . . . 51.45 77.82 0.12 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 44' ' ' GLY . 13.3 ttpp -176.6 134.81 0.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 0.751 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.471 ' CD ' ' N ' ' A' ' 47' ' ' ALA . 4.4 tm-20 -87.96 135.7 33.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.43 1.081 . . . . 0.0 110.27 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.471 ' N ' ' CD ' ' A' ' 46' ' ' GLU . . . -151.75 176.35 11.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.569 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -162.02 152.91 17.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.544 ' CB ' ' CD1' ' A' ' 35' ' ' PHE . 49.2 m -63.6 -13.27 40.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.077 . . . . 0.0 108.277 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.423 ' HA ' ' O ' ' A' ' 54' ' ' THR . . . -102.08 5.94 40.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 80.6 p -79.39 -29.3 42.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.044 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 92.6 m -117.78 -48.32 2.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 108.287 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.936 ' CE1' HD22 ' A' ' 73' ' ' LEU . 85.7 m-70 -83.23 12.83 4.76 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.739 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.537 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 57.2 p 51.02 170.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.356 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -51.36 -25.44 6.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.244 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -130.64 125.95 21.72 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.519 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 73.6 Cg_endo -71.2 -39.43 3.95 Favored 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.313 3.342 . . . . 0.0 109.575 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.74 ' HA ' ' HB2' ' A' ' 74' ' ' ALA . . . -58.71 -15.84 13.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -90.09 173.44 8.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 78.8 t -75.92 130.18 36.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.105 . . . . 0.0 109.341 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.404 ' HA2' HG23 ' A' ' 54' ' ' THR . . . -101.7 -174.48 28.2 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.532 1.145 . . . . 0.0 111.012 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.0 tttm -160.57 136.06 8.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 0.754 . . . . 0.0 109.299 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.903 ' ND2' HD11 ' A' ' 70' ' ' ILE . 87.5 m-20 -85.08 127.16 34.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.9 pt -82.82 5.58 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 74.6 t -86.29 -52.94 11.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 75.4 p -109.76 -33.69 6.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.391 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 81.21 35.88 22.57 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.538 1.149 . . . . 0.0 111.018 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 45.6 mttt -82.28 -94.87 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 0.782 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -179.07 124.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 110.299 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.903 HD11 ' ND2' ' A' ' 63' ' ' ASN . 2.8 mm -110.05 102.92 52.41 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.446 ' HB3' ' HD2' ' A' ' 72' ' ' PRO . 76.8 Cg_exo -52.67 167.36 0.62 Allowed 'Trans proline' 0 N--CA 1.447 -1.264 0 C-N-CA 124.294 3.329 . . . . 0.0 109.62 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.446 ' HD2' ' HB3' ' A' ' 71' ' ' PRO . 1.2 Cg_endo -42.47 128.16 4.58 Favored 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.298 3.332 . . . . 0.0 109.601 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.936 HD22 ' CE1' ' A' ' 53' ' ' HIS . 5.8 tp -98.7 -22.94 15.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.74 ' HB2' ' HA ' ' A' ' 58' ' ' ALA . . . -36.91 98.59 0.16 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.639 ' HG2' HD23 ' A' ' 116' ' ' LEU . 17.4 Cg_exo -66.48 55.7 0.43 Allowed 'Trans proline' 0 N--CA 1.447 -1.214 0 C-N-CA 124.294 3.329 . . . . 0.0 109.613 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 -170.14 -52.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 110.321 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 20.1 t -49.94 -40.11 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.474 ' N ' ' OD1' ' A' ' 78' ' ' ASN . 0.2 OUTLIER -99.88 144.83 28.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.283 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 20.3 p -86.55 2.25 48.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.414 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.3 mtmp? -112.86 41.85 1.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 62.2 mmt-85 -144.87 156.06 43.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.125 . . . . 0.0 110.23 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.616 ' CD1' ' HB3' ' A' ' 75' ' ' PRO . 0.9 OUTLIER 47.59 41.35 13.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 111.035 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.523 HG22 ' O ' ' A' ' 83' ' ' THR . 40.5 m -116.63 47.32 1.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 110.401 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -174.99 67.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.587 HD11 ' HB3' ' A' ' 4' ' ' ASN . 90.9 mt -41.08 -50.32 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 85' ' ' ILE . 8.7 m-20 -39.1 -57.57 1.27 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.47 95.73 6.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER 174.17 -34.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -68.3 -56.1 9.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.336 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -67.58 -45.31 75.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 4.4 mm-40 -52.49 -19.41 2.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.272 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.572 ' CD1' ' HD2' ' A' ' 109' ' ' LYS . 0.1 OUTLIER -86.71 -26.25 24.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.446 HG23 ' CG ' ' A' ' 103' ' ' ASP . 1.0 OUTLIER -88.85 -37.42 15.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.406 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 39.6 mmtt -68.48 -32.05 71.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.58 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.2 t60 -66.25 -59.96 3.24 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.759 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.433 ' C ' ' O ' ' A' ' 102' ' ' ALA . 10.0 m -54.83 -23.53 18.77 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.556 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.454 ' HA ' ' N ' ' A' ' 102' ' ' ALA . 1.6 m-80 -80.84 -12.67 59.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -116.49 3.84 13.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.58 HG13 ' CE1' ' A' ' 95' ' ' HIS . 39.3 mm -119.18 -51.24 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.523 HD12 ' SG ' ' A' ' 104' ' ' CYS . 75.1 mt -99.38 -22.66 15.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.814 ' HA3' ' HG3' ' A' ' 42' ' ' PRO . . . 99.24 10.16 49.18 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.454 ' N ' ' HA ' ' A' ' 97' ' ' ASN . . . -164.33 -177.31 4.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 0.75 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.446 ' CG ' HG23 ' A' ' 93' ' ' THR . 21.7 t0 -86.01 127.09 34.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.082 . . . . 0.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.523 ' SG ' HD12 ' A' ' 100' ' ' LEU . 48.4 m -62.17 161.85 10.48 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.944 -1.026 . . . . 0.0 109.614 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 27.8 t -71.01 141.93 87.16 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.959 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -59.5 -19.31 51.35 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.289 3.326 . . . . 0.0 109.587 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 77.8 p -86.75 -38.68 16.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.984 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -71.81 -6.26 40.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.138 . . . . 0.0 110.302 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.572 ' HD2' ' CD1' ' A' ' 92' ' ' PHE . 0.8 OUTLIER -88.3 -63.58 1.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.17 . . . . 0.0 109.301 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.781 ' HB2' ' HB2' ' A' ' 12' ' ' TYR . . . -54.89 -27.09 40.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -67.53 -50.65 57.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.425 ' CE2' HD22 ' A' ' 116' ' ' LEU . 39.5 t80 -63.04 -45.61 91.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.533 HG22 HG22 ' A' ' 9' ' ' VAL . 2.0 mt -54.2 -41.54 52.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 117' ' ' LEU . . . -63.86 -65.2 0.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -45.24 -37.7 4.88 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.81 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.639 HD23 ' HG2' ' A' ' 75' ' ' PRO . 1.0 OUTLIER -71.87 -37.15 70.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.901 ' O ' HD12 ' A' ' 117' ' ' LEU . 0.9 OUTLIER -91.4 20.65 5.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.41 HG21 HG21 ' A' ' 28' ' ' ILE . 53.9 m . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.387 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 51.8 m . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.555 ' HA ' HD11 ' A' ' 85' ' ' ILE . 0.2 OUTLIER -81.16 -49.55 10.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.714 ' HB1' HD22 ' A' ' 117' ' ' LEU . . . -53.55 -47.03 70.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -51.89 -54.31 30.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.304 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 11' ' ' LYS . 1.5 mmtm -51.22 -52.36 45.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.662 HD21 HG23 ' A' ' 85' ' ' ILE . 11.5 mt -47.42 -49.06 25.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.459 ' O ' ' CB ' ' A' ' 13' ' ' THR . 93.4 t -62.93 -50.98 77.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -64.26 -11.5 32.12 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 114.942 -1.026 . . . . 0.0 109.817 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 7' ' ' LYS . 0.5 OUTLIER -98.4 -73.33 0.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.729 ' CB ' ' HB2' ' A' ' 110' ' ' ALA . 51.4 m-85 -45.76 -24.24 0.35 Allowed 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.825 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.459 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 56.0 m -78.6 -52.02 9.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.357 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -57.91 -54.8 42.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 109.302 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.8 mt -48.09 -49.33 11.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.457 ' O ' ' ND2' ' A' ' 20' ' ' ASN . . . -60.19 -50.4 73.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.459 ' ND1' ' O ' ' A' ' 23' ' ' TYR . 66.8 t60 -58.37 -29.21 65.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.552 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.8 t -71.5 -23.21 61.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 1.166 . . . . 0.0 110.016 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -89.39 -26.59 20.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 16' ' ' ALA . 0.2 OUTLIER -153.41 126.39 4.11 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -82.98 43.79 1.55 Allowed 'Trans proline' 0 N--CA 1.447 -1.209 0 C-N-CA 124.321 3.347 . . . . 0.0 109.627 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.437 ' CG ' ' OD1' ' A' ' 20' ' ' ASN . 3.0 ptt? -144.35 34.53 1.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 111.008 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.459 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 74.1 t80 -154.82 109.29 2.98 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.858 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.423 ' O ' ' CG2' ' A' ' 13' ' ' THR . 3.0 mm-40 -91.17 -48.99 6.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.32 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.643 ' HB1' ' CD ' ' A' ' 26' ' ' PRO . . . -165.79 175.29 2.43 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.643 ' CD ' ' HB1' ' A' ' 25' ' ' ALA . 11.7 Cg_exo -72.83 -172.28 0.93 Allowed 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 124.307 3.338 . . . . 0.0 109.593 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.495 ' O ' ' CG1' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -146.6 18.51 1.32 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.434 1.084 . . . . 0.0 110.009 -179.916 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.495 ' CG1' ' O ' ' A' ' 27' ' ' SER . 47.4 pt 48.1 32.52 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 67.6 m -136.04 9.74 3.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.402 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -114.66 -35.01 5.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.9 53.54 3.73 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.5 1.125 . . . . 0.0 111.043 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.448 ' HG2' ' CZ ' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -134.65 -65.58 0.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 0.733 . . . . 0.0 109.322 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.405 ' O ' ' N ' ' A' ' 37' ' ' ARG . 60.1 mt -67.81 -44.36 85.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -54.4 -22.62 12.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.994 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.577 ' CD1' ' CB ' ' A' ' 49' ' ' CYS . 88.1 t80 -108.02 6.15 26.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.414 ' OD1' ' O ' ' A' ' 35' ' ' PHE . 83.5 m-20 -142.35 25.28 1.89 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 39' ' ' PHE . 15.5 ttp85 -103.83 94.46 5.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.342 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.413 ' CG ' ' HG2' ' A' ' 46' ' ' GLU . 21.2 ttmm -47.82 94.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.555 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 32.1 p90 -103.38 160.78 14.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.13 133.68 51.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.345 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.415 ' HB ' ' HD2' ' A' ' 42' ' ' PRO . 46.9 p -78.58 153.92 78.67 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 110.365 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.864 ' HG3' ' HA3' ' A' ' 101' ' ' GLY . 73.2 Cg_endo -66.28 -5.21 12.03 Favored 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 124.327 3.351 . . . . 0.0 109.576 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.8 p -101.21 12.66 37.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.996 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.87 77.03 0.42 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.0 tttm -176.19 135.78 0.27 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 0.755 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.413 ' HG2' ' CG ' ' A' ' 38' ' ' LYS . 3.5 tt0 -90.59 125.14 35.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 110.345 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.78 177.88 7.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.555 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -159.85 152.03 20.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.577 ' CB ' ' CD1' ' A' ' 35' ' ' PHE . 55.9 m -64.38 -11.98 38.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 108.258 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.44 ' HA ' ' O ' ' A' ' 54' ' ' THR . . . -104.39 7.45 35.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 95.5 p -78.19 -31.43 49.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.003 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 64.1 m -116.91 -45.34 2.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 108.347 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.526 ' O ' ' OG1' ' A' ' 54' ' ' THR . 72.7 m-70 -84.71 13.46 5.73 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 114.955 -1.021 . . . . 0.0 109.75 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.526 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 60.7 p 50.71 170.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 110.383 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.431 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 9.4 p30 -53.32 -24.58 12.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.254 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 14.0 t30 -130.7 124.23 20.72 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.431 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 58.4 Cg_endo -70.38 -37.94 7.06 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.327 3.351 . . . . 0.0 109.551 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.474 ' HA ' ' HB2' ' A' ' 74' ' ' ALA . . . -60.84 -14.11 19.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -91.04 173.08 8.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 109.359 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.617 HG22 ' HD3' ' A' ' 72' ' ' PRO . 53.4 t -76.6 123.58 33.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.45 ' HA2' HG23 ' A' ' 54' ' ' THR . . . -95.01 -175.94 37.93 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.495 1.122 . . . . 0.0 111.026 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.4 tttm -159.94 134.62 7.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 0.755 . . . . 0.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.907 ' ND2' HD11 ' A' ' 70' ' ' ILE . 87.5 m-20 -84.32 130.84 34.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.346 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 6.4 pt -85.97 8.69 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.335 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 53.8 t -90.75 -53.68 8.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 75.2 p -108.9 -34.25 6.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.394 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 81.94 33.83 25.86 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.503 1.127 . . . . 0.0 110.968 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.409 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 1.5 mmmt -79.13 -94.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.416 ' O ' ' HD3' ' A' ' 71' ' ' PRO . 9.6 pt-20 -179.59 124.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.259 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.907 HD11 ' ND2' ' A' ' 63' ' ' ASN . 2.5 mm -113.58 94.63 33.19 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.416 ' HD3' ' O ' ' A' ' 69' ' ' GLU . 81.2 Cg_exo -47.4 166.16 0.1 Allowed 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.337 3.358 . . . . 0.0 109.584 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.617 ' HD3' HG22 ' A' ' 60' ' ' VAL . 70.5 Cg_exo -37.51 135.4 0.47 Allowed 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.338 3.359 . . . . 0.0 109.545 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 75' ' ' PRO . 5.0 tp -97.32 -24.87 15.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.341 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.474 ' HB2' ' HA ' ' A' ' 58' ' ' ALA . . . -38.45 98.85 0.18 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.628 ' HB3' ' CD1' ' A' ' 82' ' ' PHE . 19.1 Cg_exo -65.78 55.01 0.34 Allowed 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.3 3.333 . . . . 0.0 109.611 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' A' ' 74' ' ' ALA . 10.1 ttm180 -166.25 -52.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.0 t -45.38 -41.98 3.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.471 ' N ' ' OD1' ' A' ' 78' ' ' ASN . 0.3 OUTLIER -96.17 153.69 17.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.6 p -82.61 -41.25 19.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.406 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.4 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 0.0 OUTLIER -81.36 51.28 1.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.4 ' HG2' ' O ' ' A' ' 80' ' ' LYS . 53.5 mmt-85 -147.6 135.77 21.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.326 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.628 ' CD1' ' HB3' ' A' ' 75' ' ' PRO . 0.5 OUTLIER 58.6 59.28 2.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 111.018 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 59.0 m -103.76 -61.53 1.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.375 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -87.6 111.8 21.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.662 HG23 HD21 ' A' ' 8' ' ' LEU . 81.3 mt -68.45 -46.82 79.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 85' ' ' ILE . 22.9 t70 -40.27 -59.93 1.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -88.55 83.49 6.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER 175.92 -33.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.25 -53.23 20.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.357 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -66.19 -46.22 78.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 3.6 mm-40 -55.65 -18.21 7.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.316 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.55 ' CG ' ' HD2' ' A' ' 109' ' ' LYS . 0.1 OUTLIER -84.35 -30.47 25.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 111.0 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.413 HG23 ' CG ' ' A' ' 103' ' ' ASP . 1.1 m -85.7 -35.51 20.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.424 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.7 mmtm -69.14 -30.07 68.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.557 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.4 t60 -67.11 -59.43 3.46 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 115.079 -0.964 . . . . 0.0 109.755 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.438 ' C ' ' O ' ' A' ' 102' ' ' ALA . 16.1 m -54.91 -25.81 31.74 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.559 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.437 ' HA ' ' N ' ' A' ' 102' ' ' ALA . 1.8 m-20 -79.85 -12.73 59.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -116.53 2.61 13.09 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.475 1.11 . . . . 0.0 109.313 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.557 HG13 ' CE1' ' A' ' 95' ' ' HIS . 14.5 mm -117.74 -51.66 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.424 1.078 . . . . 0.0 109.342 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.409 ' O ' ' HD3' ' A' ' 42' ' ' PRO . 70.3 mt -99.45 -20.12 16.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.864 ' HA3' ' HG3' ' A' ' 42' ' ' PRO . . . 94.73 12.71 55.3 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.509 1.13 . . . . 0.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 96' ' ' CYS . . . -163.23 -175.54 4.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 0.736 . . . . 0.0 109.255 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.413 ' CG ' HG23 ' A' ' 93' ' ' THR . 29.4 t0 -89.33 127.03 35.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 44.5 m -62.73 160.63 13.93 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.563 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.471 ' HB3' ' CG ' ' A' ' 108' ' ' GLU . 27.6 t -68.84 142.87 94.09 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.056 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -60.32 -17.52 47.43 Favored 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.313 3.342 . . . . 0.0 109.604 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 61.5 p -91.24 -43.46 9.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.009 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.471 ' CG ' ' HB3' ' A' ' 105' ' ' SER . 11.7 mm-40 -59.54 -15.1 15.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.55 ' HD2' ' CG ' ' A' ' 92' ' ' PHE . 2.7 tppt? -82.87 -71.04 0.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.335 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.729 ' HB2' ' CB ' ' A' ' 12' ' ' TYR . . . -40.64 -29.49 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.455 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 4.6 t-20 -68.29 -66.51 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.892 ' CZ ' HD11 ' A' ' 116' ' ' LEU . 39.9 t80 -46.34 -45.28 17.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 111.052 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.709 ' O ' HD23 ' A' ' 117' ' ' LEU . 2.0 mt -54.77 -33.8 28.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.255 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 111' ' ' ASN . . . -71.69 -70.06 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.448 ' CZ ' ' HG2' ' A' ' 32' ' ' LYS . 0.2 OUTLIER -41.27 -29.36 0.13 Allowed 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.034 -0.984 . . . . 0.0 109.844 -179.893 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.892 HD11 ' CZ ' ' A' ' 112' ' ' PHE . 17.1 mt -77.69 -47.06 20.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.847 ' O ' HD12 ' A' ' 117' ' ' LEU . 1.0 OUTLIER -91.49 30.55 1.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 5.7 m . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.407 -179.952 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.5 m . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 110.363 -0.236 . . . . 0.0 110.363 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.496 ' N ' ' ND2' ' A' ' 4' ' ' ASN . 0.3 OUTLIER -82.15 -47.92 11.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 1.04 ' HB1' HD21 ' A' ' 117' ' ' LEU . . . -56.76 -51.9 67.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 7' ' ' LYS . 12.4 pt-20 -52.32 -36.42 53.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.259 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 11' ' ' LYS . 3.9 tptt -63.96 -55.63 21.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.627 HD21 HG12 ' A' ' 85' ' ' ILE . 9.8 mt -48.02 -39.32 19.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.445 ' O ' ' CB ' ' A' ' 13' ' ' THR . 88.3 t -65.57 -53.18 42.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -73.06 -0.74 14.8 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.807 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 7' ' ' LYS . 1.8 tptp -103.12 -72.07 0.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.68 ' HB2' ' HB2' ' A' ' 110' ' ' ALA . 62.3 m-85 -51.75 -21.66 2.95 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 114.988 -1.006 . . . . 0.0 109.863 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.445 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 52.9 m -79.27 -53.86 6.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.401 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.423 ' O ' ' N ' ' A' ' 18' ' ' SER . 3.5 t30 -55.63 -54.79 39.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.8 mt -50.1 -49.53 21.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.34 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.25 -43.33 96.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.457 ' ND1' ' O ' ' A' ' 23' ' ' TYR . 70.0 t60 -66.98 -29.09 68.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.597 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 14' ' ' ASN . 46.7 t -72.87 -20.06 61.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 110.032 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -99.06 -28.94 13.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.415 ' ND2' ' HG2' ' A' ' 22' ' ' MET . 0.1 OUTLIER -141.18 113.78 6.86 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.158 . . . . 0.0 109.283 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -78.61 42.92 1.34 Allowed 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.299 3.332 . . . . 0.0 109.59 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.415 ' HG2' ' ND2' ' A' ' 20' ' ' ASN . 17.3 ptt? -146.69 34.15 0.94 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.457 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 69.5 t80 -151.81 114.19 4.55 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.833 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -95.29 -47.36 6.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.322 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.68 ' HB1' ' CD ' ' A' ' 26' ' ' PRO . . . -165.26 176.48 2.01 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.68 ' CD ' ' HB1' ' A' ' 25' ' ' ALA . 27.6 Cg_exo -67.19 164.54 29.9 Favored 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 124.335 3.356 . . . . 0.0 109.619 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.68 12.02 9.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.027 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 41.1 pt 44.09 49.74 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.714 HG22 ' O ' ' A' ' 29' ' ' THR . 3.4 m -162.29 38.72 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 110.435 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 33' ' ' ILE . 0.6 OUTLIER -148.22 -45.6 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -47.72 -24.53 2.94 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.496 1.122 . . . . 0.0 111.034 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.526 ' HB3' ' CZ ' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -72.85 -35.49 67.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 0.777 . . . . 0.0 109.284 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.481 HD11 ' HE3' ' A' ' 32' ' ' LYS . 13.2 mt -85.61 3.96 3.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.09 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.54 ' CG ' ' O ' ' A' ' 34' ' ' PHE . 60.7 t80 -124.42 30.0 6.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.95 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.587 ' CD1' ' HB2' ' A' ' 49' ' ' CYS . 42.4 t80 -145.25 -41.67 0.23 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.148 . . . . 0.0 111.006 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -100.42 6.85 44.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 -79.95 88.02 5.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 110.313 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.5 ttpp -48.37 101.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.455 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 35.7 p90 -108.76 162.13 14.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.79 134.96 51.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 12.8 p -85.4 153.45 58.98 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.386 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.859 ' HG3' ' HA3' ' A' ' 101' ' ' GLY . 59.5 Cg_endo -64.11 -9.04 17.97 Favored 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.296 3.33 . . . . 0.0 109.606 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.1 p -85.87 -6.87 59.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.969 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 84.49 67.07 1.44 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -171.83 138.9 1.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 0.737 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -89.16 123.23 33.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 110.273 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -133.83 -178.44 5.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.271 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.455 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -162.77 152.17 15.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.587 ' HB2' ' CD1' ' A' ' 35' ' ' PHE . 61.9 m -64.77 -13.54 55.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 108.327 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.439 ' HA ' ' O ' ' A' ' 54' ' ' THR . . . -101.37 4.19 41.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 90.6 p -75.18 -27.08 59.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 110.008 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 80.5 m -121.83 -47.16 2.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 108.291 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.521 ' O ' ' OG1' ' A' ' 54' ' ' THR . 90.3 m-70 -82.88 14.12 3.47 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.012 -0.994 . . . . 0.0 109.779 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.521 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 44.9 p 50.81 171.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.139 . . . . 0.0 110.387 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -54.01 -22.04 9.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -134.85 125.53 17.35 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.817 ' HG3' HD21 ' A' ' 116' ' ' LEU . 60.4 Cg_endo -70.72 -42.52 2.36 Favored 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.301 3.334 . . . . 0.0 109.603 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.642 ' HA ' ' HB2' ' A' ' 74' ' ' ALA . . . -55.64 -16.95 4.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -90.68 171.26 9.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 70.1 t -73.58 130.38 35.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.433 ' HA2' HG23 ' A' ' 54' ' ' THR . . . -100.78 -174.48 29.39 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.499 1.124 . . . . 0.0 111.013 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.1 tttt -159.61 134.77 8.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 0.755 . . . . 0.0 109.272 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.792 ' ND2' HD11 ' A' ' 70' ' ' ILE . 84.1 m-20 -85.28 128.32 34.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 7.3 pt -84.35 7.22 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.344 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 71.0 t -88.67 -54.44 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 62.5 p -109.17 -33.77 6.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.155 . . . . 0.0 110.442 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 80.97 34.71 26.36 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.467 1.105 . . . . 0.0 111.045 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.435 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 1.0 OUTLIER -77.72 -94.17 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 0.764 . . . . 0.0 109.328 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.435 ' HB3' ' O ' ' A' ' 68' ' ' LYS . 14.1 pt-20 179.25 120.57 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.322 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.792 HD11 ' ND2' ' A' ' 63' ' ' ASN . 2.7 mm -109.93 126.65 28.59 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.465 ' CB ' ' HD2' ' A' ' 72' ' ' PRO . 58.3 Cg_endo -71.0 170.25 18.52 Favored 'Trans proline' 0 N--CA 1.448 -1.184 0 C-N-CA 124.347 3.365 . . . . 0.0 109.578 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.696 ' HG2' HD21 ' A' ' 78' ' ' ASN . 13.0 Cg_endo -51.99 135.85 51.84 Favored 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.322 3.348 . . . . 0.0 109.599 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.803 HD12 ' O ' ' A' ' 73' ' ' LEU . 1.3 tp -91.4 -20.15 22.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.642 ' HB2' ' HA ' ' A' ' 58' ' ' ALA . . . -36.58 96.83 0.11 Allowed Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.563 ' HB3' ' CG ' ' A' ' 82' ' ' PHE . 15.5 Cg_exo -68.05 54.89 0.7 Allowed 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 124.353 3.368 . . . . 0.0 109.582 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.1 ttt-85 -171.29 -50.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.297 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.66 HG12 ' OD1' ' A' ' 78' ' ' ASN . 33.6 t -45.93 -41.29 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.696 HD21 ' HG2' ' A' ' 72' ' ' PRO . 0.4 OUTLIER -111.63 157.54 20.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.348 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.3 t -94.95 3.75 54.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.408 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -104.96 28.33 7.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.441 ' NH2' ' HG2' ' A' ' 71' ' ' PRO . 23.3 mmt-85 -127.6 147.82 50.35 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 110.287 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.563 ' CG ' ' HB3' ' A' ' 75' ' ' PRO . 3.3 m-30 57.08 46.02 19.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 60.1 m -76.05 -64.46 1.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 110.429 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -83.54 97.21 8.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.627 HG12 HD21 ' A' ' 8' ' ' LEU . 5.4 tt -75.57 -2.43 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.249 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -94.39 -24.1 17.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 90' ' ' ASP . 15.7 mttt -101.04 -53.75 2.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -43.16 -28.33 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.443 ' CG ' ' OH ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -79.4 -44.85 20.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.267 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 87' ' ' LYS . 43.2 m-20 -67.15 -45.56 76.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.247 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -59.3 -46.84 87.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.567 ' CD2' ' HD2' ' A' ' 109' ' ' LYS . 0.1 OUTLIER -47.73 -27.4 1.96 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 110.993 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.762 HG23 ' CG ' ' A' ' 103' ' ' ASP . 1.2 m -88.33 -49.0 7.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.375 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.44 -21.93 64.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.44 ' O ' ' N ' ' A' ' 99' ' ' ILE . 1.3 t60 -73.61 -58.13 3.52 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.749 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.421 ' C ' ' O ' ' A' ' 102' ' ' ALA . 15.1 m -58.43 -26.8 63.71 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.571 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -79.14 -13.55 59.66 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.64 5.19 10.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.44 ' N ' ' O ' ' A' ' 95' ' ' HIS . 5.5 mm -120.33 -46.55 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.433 ' O ' ' HD3' ' A' ' 42' ' ' PRO . 39.9 mt -104.14 -24.6 13.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.859 ' HA3' ' HG3' ' A' ' 42' ' ' PRO . . . 98.25 16.37 32.66 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.521 1.138 . . . . 0.0 110.987 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 96' ' ' CYS . . . -164.35 -176.55 4.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 0.788 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.762 ' CG ' HG23 ' A' ' 93' ' ' THR . 9.4 t0 -94.51 119.94 33.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 35.2 m -58.55 161.16 4.78 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.62 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.463 ' OG ' ' CG ' ' A' ' 108' ' ' GLU . 54.0 p -81.49 145.64 55.56 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.993 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -59.56 -14.55 26.34 Favored 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 124.3 3.333 . . . . 0.0 109.593 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 60.1 p -86.46 -44.76 11.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.424 1.078 . . . . 0.0 110.005 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.463 ' CG ' ' OG ' ' A' ' 105' ' ' SER . 2.1 mm-40 -66.47 -8.19 24.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.319 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.567 ' HD2' ' CD2' ' A' ' 92' ' ' PHE . 1.5 tppt? -86.02 -63.93 1.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.68 ' HB2' ' HB2' ' A' ' 12' ' ' TYR . . . -58.88 -16.49 17.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -78.85 -36.46 42.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.628 ' CE2' HD11 ' A' ' 116' ' ' LEU . 73.4 t80 -79.99 -46.09 17.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.501 HD12 ' HG3' ' A' ' 109' ' ' LYS . 1.9 mt -50.98 -42.62 24.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.589 ' HB2' ' HG2' ' A' ' 26' ' ' PRO . . . -61.97 -69.34 0.25 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.26 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.526 ' CZ ' ' HB3' ' A' ' 32' ' ' LYS . 0.9 OUTLIER -39.9 -39.48 0.84 Allowed 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.795 -179.913 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.817 HD21 ' HG3' ' A' ' 57' ' ' PRO . 11.6 mt -68.62 -62.84 1.21 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 1.04 HD21 ' HB1' ' A' ' 5' ' ' ALA . 16.7 mt -39.38 -44.93 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.44 HG22 ' C ' ' A' ' 115' ' ' TYR . 8.7 t . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.449 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 4' ' ' ASN . 76.5 m . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.563 ' HB3' HD11 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -39.37 -54.88 1.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.577 ' HB1' HD22 ' A' ' 117' ' ' LEU . . . -41.87 -50.04 4.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.571 1.169 . . . . 0.0 109.302 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 3' ' ' THR . 10.4 tp10 -55.07 -47.71 74.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.319 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.452 ' C ' ' CD ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -58.71 -48.53 80.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.65 HD21 HG23 ' A' ' 85' ' ' ILE . 11.0 mt -51.52 -51.29 56.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.531 HG21 HD21 ' A' ' 117' ' ' LEU . 81.3 t -56.94 -52.18 58.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -66.73 -7.6 22.17 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.025 -0.988 . . . . 0.0 109.789 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.1 tptm -99.58 -74.75 0.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.097 . . . . 0.0 109.276 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.642 ' HB2' ' HB2' ' A' ' 110' ' ' ALA . 74.8 m-85 -46.21 -25.41 0.6 Allowed 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 114.959 -1.019 . . . . 0.0 109.846 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.461 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 25.1 m -72.72 -46.51 53.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.381 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.445 ' O ' ' N ' ' A' ' 17' ' ' HIS . 2.3 t-20 -62.09 -60.92 2.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.4 mt -43.75 -47.49 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.85 -39.86 90.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.341 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.445 ' N ' ' O ' ' A' ' 14' ' ' ASN . 12.9 t60 -69.9 -30.56 68.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.612 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 29.7 t -64.93 -10.86 32.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.046 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -110.43 -44.93 3.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.44 ' ND2' ' HD2' ' A' ' 21' ' ' PRO . 13.2 t-20 -119.84 121.68 29.58 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.44 ' HD2' ' ND2' ' A' ' 20' ' ' ASN . 88.1 Cg_endo -82.86 35.65 0.58 Allowed 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.331 3.354 . . . . 0.0 109.607 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 3.7 mtt -143.24 36.99 1.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.984 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.441 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 12.7 t80 -138.8 113.34 8.96 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.829 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -100.21 -48.65 4.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.288 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -158.16 152.37 20.13 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -59.65 -161.76 0.02 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.188 0 C-N-CA 124.321 3.347 . . . . 0.0 109.572 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 29.4 t -150.63 164.21 36.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.424 1.078 . . . . 0.0 109.982 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.596 ' HB ' HG21 ' A' ' 118' ' ' THR . 5.8 pt -117.55 43.47 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.09 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.514 HG22 ' O ' ' A' ' 29' ' ' THR . 51.5 m -154.86 35.51 0.4 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 110.411 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.491 ' HA ' HD12 ' A' ' 33' ' ' ILE . 0.2 OUTLIER -154.83 -44.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.469 ' N ' HD21 ' A' ' 111' ' ' ASN . . . -41.85 -27.27 0.35 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.446 1.091 . . . . 0.0 110.971 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.515 ' HB3' ' CZ ' ' A' ' 115' ' ' TYR . 26.2 pttt -69.92 -46.46 65.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 0.802 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.491 HD12 ' HA ' ' A' ' 30' ' ' ASP . 19.7 mt -58.86 -55.15 25.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -56.63 -18.71 13.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.547 ' CE2' ' HD3' ' A' ' 57' ' ' PRO . 84.9 t80 -108.86 4.99 24.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.956 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.411 ' OD1' ' O ' ' A' ' 35' ' ' PHE . 85.7 m-20 -142.52 27.43 1.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.471 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -104.56 88.97 3.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -43.61 95.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.253 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.56 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 30.6 p90 -106.62 161.14 14.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 111.016 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.26 135.06 46.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.423 ' HB ' ' HD2' ' A' ' 42' ' ' PRO . 69.3 p -79.15 154.64 77.34 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 110.427 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.88 ' HG3' ' HA3' ' A' ' 101' ' ' GLY . 60.7 Cg_endo -64.83 -6.2 12.09 Favored 'Trans proline' 0 N--CA 1.447 -1.251 0 C-N-CA 124.348 3.365 . . . . 0.0 109.587 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.2 p -107.94 31.92 5.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.029 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 49.78 83.81 0.03 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.529 1.143 . . . . 0.0 111.015 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.473 ' HD3' ' HB2' ' A' ' 47' ' ' ALA . 0.0 OUTLIER 178.72 124.59 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 0.762 . . . . 0.0 109.322 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -79.99 125.31 29.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 0.0 110.322 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.473 ' HB2' ' HD3' ' A' ' 45' ' ' LYS . . . -141.39 177.93 7.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.56 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -159.11 153.87 24.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.44 ' CB ' ' CD1' ' A' ' 35' ' ' PHE . 61.7 m -65.69 -12.34 52.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 108.279 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.482 ' HB1' ' HA ' ' A' ' 55' ' ' ASN . . . -103.68 5.93 36.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 90.5 p -73.58 -31.86 63.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.034 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 62' ' ' LYS . 61.2 m -116.06 -42.78 3.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 108.307 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.499 ' O ' ' OG1' ' A' ' 54' ' ' THR . 69.0 m-70 -86.54 15.73 5.27 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.733 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.499 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 61.3 p 49.77 173.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 110.399 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.482 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 7.4 p30 -56.48 -25.95 52.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -127.32 124.63 23.75 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.547 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 65.0 Cg_endo -70.64 -39.46 4.79 Favored 'Trans proline' 0 N--CA 1.447 -1.209 0 C-N-CA 124.338 3.359 . . . . 0.0 109.632 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.34 -16.05 12.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -89.12 175.31 7.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.26 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 40.4 t -78.98 117.09 23.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.248 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.467 ' HA2' HG23 ' A' ' 54' ' ' THR . . . -77.21 -169.49 31.96 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.528 1.143 . . . . 0.0 110.996 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 52' ' ' CYS . 0.5 OUTLIER -170.24 122.23 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 0.749 . . . . 0.0 109.257 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.641 ' ND2' HD11 ' A' ' 70' ' ' ILE . 90.9 m-20 -77.72 134.89 38.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 7.0 pt -84.33 8.15 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 67.8 t -87.28 -54.57 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.256 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 71.9 p -106.86 -34.42 7.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.382 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 88.36 47.48 4.33 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.128 . . . . 0.0 110.99 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.65 -166.35 1.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.57 0.806 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -112.83 101.19 9.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.316 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.641 HD11 ' ND2' ' A' ' 63' ' ' ASN . 2.8 mm -82.35 118.07 70.64 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -46.65 163.77 0.11 Allowed 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.306 3.338 . . . . 0.0 109.621 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -48.44 132.32 24.42 Favored 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.343 3.362 . . . . 0.0 109.569 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.459 HD13 ' CE1' ' A' ' 53' ' ' HIS . 5.5 tp -84.76 -31.14 24.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.647 ' HB3' ' HB ' ' A' ' 77' ' ' VAL . . . -39.61 100.3 0.21 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.265 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.606 ' HB3' ' CD1' ' A' ' 82' ' ' PHE . 48.0 Cg_exo -59.37 -13.04 18.68 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.341 3.361 . . . . 0.0 109.557 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.6 ttp85 -100.84 -53.55 3.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 110.273 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.647 ' HB ' ' HB3' ' A' ' 74' ' ' ALA . 40.3 t -54.86 -40.25 51.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.431 ' ND2' ' HG2' ' A' ' 81' ' ' ARG . 40.1 t-20 -95.05 104.46 16.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 43.4 p -59.19 -19.11 42.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.418 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.413 ' O ' ' NH1' ' A' ' 81' ' ' ARG . 6.6 mmtp -88.28 43.19 1.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.084 . . . . 0.0 109.277 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.502 ' CB ' ' HA ' ' A' ' 75' ' ' PRO . 86.7 mmt-85 -147.24 171.99 14.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 110.311 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.606 ' CD1' ' HB3' ' A' ' 75' ' ' PRO . 3.8 m-30 36.05 66.07 0.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 86.5 m -96.46 -60.4 1.62 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 110.384 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -112.04 100.76 9.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.65 HG23 HD21 ' A' ' 8' ' ' LEU . 55.6 mt -40.16 -43.67 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 85' ' ' ILE . 29.9 t0 -40.41 -58.67 1.49 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.86 79.57 6.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.262 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER 174.54 -34.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -71.15 -53.96 12.69 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.548 1.155 . . . . 0.0 110.3 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -65.06 -49.47 69.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 109.327 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -47.57 -38.71 14.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 110.277 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.568 ' CD1' ' HD2' ' A' ' 109' ' ' LYS . 0.1 OUTLIER -62.86 -27.04 69.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 111.003 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.646 HG23 ' CG ' ' A' ' 103' ' ' ASP . 1.0 OUTLIER -88.34 -36.67 16.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.373 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.0 mmmt -72.07 -29.69 64.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.423 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.4 t60 -67.46 -60.6 2.43 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.78 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.45 ' C ' ' O ' ' A' ' 102' ' ' ALA . 1.8 m -54.78 -25.11 25.82 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.567 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.459 ' HA ' ' N ' ' A' ' 102' ' ' ALA . 1.9 m-20 -78.84 -15.8 57.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -111.53 -4.53 14.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.423 HG13 ' CE1' ' A' ' 95' ' ' HIS . 48.9 mm -111.06 -57.33 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.712 HD12 ' SG ' ' A' ' 104' ' ' CYS . 47.0 mt -91.33 -15.86 28.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.88 ' HA3' ' HG3' ' A' ' 42' ' ' PRO . . . 87.64 13.7 64.64 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.516 1.135 . . . . 0.0 111.039 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.459 ' N ' ' HA ' ' A' ' 97' ' ' ASN . . . -161.2 -169.98 2.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 0.759 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.646 ' CG ' HG23 ' A' ' 93' ' ' THR . 8.2 t0 -96.9 121.39 38.72 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.712 ' SG ' HD12 ' A' ' 100' ' ' LEU . 45.2 m -61.39 161.5 9.21 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.04 -0.982 . . . . 0.0 109.554 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.5 m -74.57 143.35 78.88 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.135 . . . . 0.0 109.951 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -61.52 -20.69 69.6 Favored 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.333 3.356 . . . . 0.0 109.603 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 53.0 p -82.52 -34.65 27.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.027 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -75.5 -14.45 60.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.342 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.568 ' HD2' ' CD1' ' A' ' 92' ' ' PHE . 0.6 OUTLIER -78.3 -59.64 2.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.642 ' HB2' ' HB2' ' A' ' 12' ' ' TYR . . . -59.04 -24.67 63.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.469 HD21 ' N ' ' A' ' 31' ' ' GLY . 0.8 OUTLIER -69.0 -39.84 79.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.31 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.711 ' CE2' HD11 ' A' ' 116' ' ' LEU . 39.5 t80 -76.5 -45.98 28.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 111.049 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.654 ' O ' HD23 ' A' ' 117' ' ' LEU . 1.9 mt -52.55 -38.58 26.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.36 -60.44 2.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.515 ' CZ ' ' HB3' ' A' ' 32' ' ' LYS . 1.3 t80 -53.14 -35.2 59.47 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.851 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.711 HD11 ' CE2' ' A' ' 112' ' ' PHE . 7.2 mt -70.37 -41.63 72.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.421 1.076 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.901 ' O ' HD12 ' A' ' 117' ' ' LEU . 1.2 pp -92.34 28.25 2.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.143 . . . . 0.0 109.332 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.596 HG21 ' HB ' ' A' ' 28' ' ' ILE . 1.9 m . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.353 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.425 -0.213 . . . . 0.0 110.425 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.475 ' N ' ' ND2' ' A' ' 4' ' ' ASN . 0.3 OUTLIER -79.66 -49.09 12.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.241 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.969 ' HB1' HD22 ' A' ' 117' ' ' LEU . . . -51.44 -47.79 62.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -52.86 -49.45 65.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.572 1.17 . . . . 0.0 110.307 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.436 ' C ' ' CD ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -53.14 -52.93 57.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.479 HD11 HG11 ' A' ' 88' ' ' VAL . 10.9 mt -51.39 -53.04 40.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.266 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.571 HG21 HD21 ' A' ' 117' ' ' LEU . 91.7 t -59.91 -36.5 67.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -80.27 6.95 10.53 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.851 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.8 mmtm -119.83 -74.05 0.62 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 109.326 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.405 ' HB2' ' HB2' ' A' ' 110' ' ' ALA . 83.1 m-85 -45.88 -24.06 0.35 Allowed 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.799 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.431 ' CG2' ' O ' ' A' ' 24' ' ' GLU . 51.8 m -75.5 -53.36 8.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 110.421 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -55.87 -53.61 54.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.8 mt -50.4 -48.2 25.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.72 -45.39 94.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.338 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.461 ' HA ' ' O ' ' A' ' 20' ' ' ASN . 72.7 t60 -64.45 -30.21 71.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.584 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.5 t -71.68 -18.22 62.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.992 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -102.35 -21.48 14.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.461 ' O ' ' HA ' ' A' ' 17' ' ' HIS . 11.3 t-20 -146.77 119.37 4.9 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.422 ' HD2' ' ND2' ' A' ' 20' ' ' ASN . 91.0 Cg_endo -83.18 31.82 0.52 Allowed 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.338 3.358 . . . . 0.0 109.586 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.6 mtp -138.9 30.52 2.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 110.98 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.45 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 82.4 t80 -147.86 112.4 5.32 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.058 -0.973 . . . . 0.0 109.796 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.431 ' O ' ' CG2' ' A' ' 13' ' ' THR . 3.2 mm-40 -94.89 -48.61 5.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 110.322 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.66 ' HB1' ' CD ' ' A' ' 26' ' ' PRO . . . -160.72 175.6 3.03 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.66 ' CD ' ' HB1' ' A' ' 25' ' ' ALA . 16.6 Cg_exo -70.57 -178.55 2.71 Favored 'Trans proline' 0 N--CA 1.448 -1.198 0 C-N-CA 124.362 3.375 . . . . 0.0 109.537 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.485 ' C ' HG13 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -136.96 25.15 3.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 0.0 110.012 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.815 ' O ' HD12 ' A' ' 28' ' ' ILE . 2.7 pp 35.26 36.28 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.457 ' N ' ' O ' ' A' ' 27' ' ' SER . 35.5 m -126.64 -59.06 1.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.394 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.27 -16.65 14.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.583 ' N ' HD21 ' A' ' 111' ' ' ASN . . . -70.03 63.88 0.72 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.471 1.107 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.21 -47.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 0.759 . . . . 0.0 109.293 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 89.7 mt -62.13 -41.38 91.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -76.5 -9.75 58.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 0.0 110.966 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.57 ' CD1' ' HB2' ' A' ' 49' ' ' CYS . 82.5 t80 -111.71 9.18 20.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 111.028 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -145.9 26.92 1.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.485 ' O ' ' N ' ' A' ' 39' ' ' PHE . 4.1 tpm_? -100.88 93.07 5.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.294 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -46.68 93.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.598 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 24.0 p90 -107.62 156.41 19.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -105.01 139.16 40.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.439 ' HB ' ' HD2' ' A' ' 42' ' ' PRO . 52.4 p -83.12 154.86 67.26 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.395 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.889 ' HG3' ' HA3' ' A' ' 101' ' ' GLY . 56.9 Cg_endo -62.85 -7.85 12.28 Favored 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.36 3.373 . . . . 0.0 109.595 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.5 p -103.83 32.67 3.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 109.961 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 48.71 80.14 0.06 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.122 . . . . 0.0 110.995 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 24.0 ttpt -175.03 135.23 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 0.789 . . . . 0.0 109.28 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -93.43 123.25 36.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -136.33 -169.44 2.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.598 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -175.1 154.15 1.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.27 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.57 ' HB2' ' CD1' ' A' ' 35' ' ' PHE . 21.4 m -70.11 -8.02 46.21 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 108.321 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.444 ' HA ' ' O ' ' A' ' 54' ' ' THR . . . -107.29 5.67 27.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.252 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.4 ' HB2' ' O ' ' A' ' 48' ' ' ALA . 0.4 OUTLIER -86.51 -20.29 28.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.972 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 63.9 m -122.31 -44.71 2.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 108.326 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.523 ' O ' ' OG1' ' A' ' 54' ' ' THR . 65.2 m-70 -93.35 16.51 13.17 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 114.961 -1.018 . . . . 0.0 109.791 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.523 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 58.0 p 50.63 169.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 110.366 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.42 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 9.9 p30 -53.07 -25.8 13.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 15.9 t30 -128.71 124.78 22.79 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.512 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 74.2 Cg_endo -71.31 -37.32 5.91 Favored 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.292 3.328 . . . . 0.0 109.614 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.76 -13.87 17.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 0.0 109.235 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -92.65 173.73 7.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 87.1 t -75.32 127.61 36.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.415 ' HA2' HG23 ' A' ' 54' ' ' THR . . . -99.74 -177.67 30.93 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.545 1.153 . . . . 0.0 111.006 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -161.63 135.86 6.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 0.789 . . . . 0.0 109.322 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.921 ' ND2' HD11 ' A' ' 70' ' ' ILE . 92.9 m-20 -85.7 127.45 34.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.8 pt -83.11 5.83 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 74.5 t -86.78 -53.78 9.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.244 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 77.1 p -109.13 -34.02 6.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.392 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 81.59 35.29 23.01 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.55 1.156 . . . . 0.0 111.001 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 32.8 mmtt -80.27 -94.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 0.752 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.403 ' O ' ' HD3' ' A' ' 71' ' ' PRO . 9.5 pt-20 -179.39 123.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.921 HD11 ' ND2' ' A' ' 63' ' ' ASN . 2.2 mm -114.06 96.01 40.39 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.42 ' HB3' ' HD2' ' A' ' 72' ' ' PRO . 89.0 Cg_exo -49.42 167.56 0.16 Allowed 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.321 3.347 . . . . 0.0 109.614 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.42 ' HD2' ' HB3' ' A' ' 71' ' ' PRO . 68.2 Cg_exo -37.4 132.32 0.59 Allowed 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 124.338 3.359 . . . . 0.0 109.586 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.424 ' O ' ' C ' ' A' ' 74' ' ' ALA . 3.7 tp -94.2 -30.21 14.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.542 ' HA ' HD22 ' A' ' 116' ' ' LEU . . . -38.56 108.53 0.46 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.285 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.533 ' HB2' ' CG ' ' A' ' 82' ' ' PHE . 71.8 Cg_endo -79.25 41.88 1.18 Allowed 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.294 3.33 . . . . 0.0 109.575 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.61 -56.44 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.291 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.45 HG12 ' OD1' ' A' ' 78' ' ' ASN . 14.1 t -42.79 -42.69 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 109.254 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.485 ' N ' ' OD1' ' A' ' 78' ' ' ASN . 0.2 OUTLIER -100.63 147.83 25.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 25.4 p -90.29 2.62 55.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.404 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.86 47.29 0.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.25 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.408 ' CB ' ' HA ' ' A' ' 75' ' ' PRO . 59.0 mmt-85 -143.77 158.18 43.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.16 . . . . 0.0 110.32 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.533 ' CG ' ' HB2' ' A' ' 75' ' ' PRO . 1.6 m-30 50.8 34.17 9.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.941 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 34.9 m -91.65 53.42 2.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.147 . . . . 0.0 110.43 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.2 t0 177.93 90.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.464 ' O ' HG23 ' A' ' 85' ' ' ILE . 2.5 tt -89.45 40.06 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -126.66 -46.82 1.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.408 ' HE3' ' CG ' ' A' ' 91' ' ' GLU . 30.4 tttp -87.35 -34.36 18.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.479 HG11 HD11 ' A' ' 8' ' ' LEU . 1.2 t -50.62 -36.92 14.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -77.26 57.46 1.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.275 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.1 t0 175.49 -48.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.41 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 6.5 mm-40 -56.25 -19.09 12.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.566 ' CG ' ' HD2' ' A' ' 109' ' ' LYS . 0.1 OUTLIER -84.02 -24.07 30.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 110.975 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.0 -31.45 18.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 110.406 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 43.4 mmtt -75.98 -30.03 58.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.574 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.3 t60 -67.72 -58.77 4.07 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 115.008 -0.996 . . . . 0.0 109.774 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.424 ' C ' ' O ' ' A' ' 102' ' ' ALA . 8.4 m -57.24 -24.81 57.14 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.561 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.451 ' HA ' ' N ' ' A' ' 102' ' ' ALA . 1.6 m-20 -81.29 -13.0 58.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -115.53 -2.84 12.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.574 HG13 ' CE1' ' A' ' 95' ' ' HIS . 26.8 mm -114.47 -55.13 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.777 HD12 ' SG ' ' A' ' 104' ' ' CYS . 41.5 mt -94.46 -9.56 35.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.889 ' HA3' ' HG3' ' A' ' 42' ' ' PRO . . . 81.11 13.86 80.21 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.55 1.156 . . . . 0.0 110.998 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.451 ' N ' ' HA ' ' A' ' 97' ' ' ASN . . . -167.72 176.81 6.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.448 0.734 . . . . 0.0 109.361 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -79.14 131.62 36.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.777 ' SG ' HD12 ' A' ' 100' ' ' LEU . 35.9 m -71.37 162.06 30.04 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.536 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.5 m -73.66 141.67 79.66 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.974 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_endo -60.3 -17.0 44.29 Favored 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.335 3.357 . . . . 0.0 109.595 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 54.2 p -87.74 -38.03 16.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.947 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -70.63 -5.66 31.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.324 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.57 ' HG3' HD12 ' A' ' 113' ' ' ILE . 2.6 tppt? -92.08 -65.77 0.98 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.405 ' HB2' ' HB2' ' A' ' 12' ' ' TYR . . . -49.74 -22.66 1.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.267 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.583 HD21 ' N ' ' A' ' 31' ' ' GLY . 0.3 OUTLIER -77.23 -37.25 53.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.703 ' CE2' HD11 ' A' ' 116' ' ' LEU . 47.2 t80 -77.32 -45.71 25.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.7 ' O ' HD23 ' A' ' 117' ' ' LEU . 1.7 mt -55.76 -39.21 54.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 117' ' ' LEU . . . -63.9 -70.69 0.2 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.142 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.574 ' CD2' ' HA3' ' A' ' 31' ' ' GLY . 1.2 t80 -43.85 -29.45 0.55 Allowed 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 114.966 -1.015 . . . . 0.0 109.831 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.703 HD11 ' CE2' ' A' ' 112' ' ' PHE . 12.0 mt -73.58 -44.85 56.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.969 HD22 ' HB1' ' A' ' 5' ' ' ALA . 1.0 OUTLIER -92.16 30.29 1.47 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.451 179.94 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.1 m . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.41 -0.218 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.575 ' HB3' HD11 ' A' ' 85' ' ' ILE . 0.1 OUTLIER -84.82 -52.75 5.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.705 ' HB1' HD22 ' A' ' 117' ' ' LEU . . . -45.28 -47.22 12.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -56.77 -47.56 79.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.0 mmtm -55.86 -53.83 51.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.626 HD22 ' HE2' ' A' ' 12' ' ' TYR . 10.8 mt -47.76 -49.93 27.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 5' ' ' ALA . 59.8 t -60.03 -45.03 96.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -67.8 -12.88 61.51 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.843 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.418 ' HG3' HD12 ' A' ' 15' ' ' ILE . 7.3 tptt -95.83 -72.01 0.65 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.626 ' HE2' HD22 ' A' ' 8' ' ' LEU . 54.0 m-85 -45.69 -26.36 0.62 Allowed 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.829 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.418 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 22.4 m -74.0 -41.54 61.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 110.359 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.43 ' O ' ' N ' ' A' ' 18' ' ' SER . 16.3 t-20 -65.36 -60.16 3.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.418 HD12 ' HG3' ' A' ' 11' ' ' LYS . 2.9 mt -44.68 -48.12 2.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.29 -46.65 85.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.479 ' ND1' ' O ' ' A' ' 23' ' ' TYR . 9.4 t60 -65.71 -33.02 74.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 109.611 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 14' ' ' ASN . 44.5 t -67.08 -9.93 44.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.985 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -103.14 -39.8 6.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 109.346 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.411 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 38.4 p-10 -140.77 135.2 15.4 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -85.12 46.02 1.74 Allowed 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.303 3.335 . . . . 0.0 109.64 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 6.7 ptt? -145.41 37.86 1.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 110.966 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.479 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 12.4 t80 -146.57 106.15 3.94 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.802 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -93.2 -49.3 6.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.324 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.595 ' HB1' ' HD2' ' A' ' 26' ' ' PRO . . . -152.09 167.59 12.9 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.595 ' HD2' ' HB1' ' A' ' 25' ' ' ALA . 59.8 Cg_endo -87.56 -173.27 1.0 Allowed 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.297 3.332 . . . . 0.0 109.602 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.458 ' OG ' ' N ' ' A' ' 28' ' ' ILE . 18.4 t -140.03 -176.43 4.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.974 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.458 ' N ' ' OG ' ' A' ' 27' ' ' SER . 6.2 pt -125.41 53.53 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.9 m -139.29 -45.23 0.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.387 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -58.55 -34.68 71.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.598 ' O ' ' CE1' ' A' ' 115' ' ' TYR . . . -69.42 69.29 0.52 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.49 1.119 . . . . 0.0 110.968 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.442 ' HG2' ' CE1' ' A' ' 115' ' ' TYR . 4.0 mmtp -165.23 -61.62 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.472 0.748 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 26.2 mt -68.39 -50.36 57.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.607 ' CZ ' ' OE1' ' A' ' 108' ' ' GLU . 14.2 t80 -54.65 -21.19 9.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.976 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.59 ' CD1' ' HB2' ' A' ' 49' ' ' CYS . 86.3 t80 -108.2 5.36 25.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.41 ' OD1' ' O ' ' A' ' 35' ' ' PHE . 85.8 m-20 -142.36 25.59 1.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -103.75 99.26 9.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.289 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -49.72 92.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.578 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 22.5 p90 -105.38 156.43 18.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 111.031 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.03 139.46 39.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.419 ' HB ' ' HD2' ' A' ' 42' ' ' PRO . 30.1 p -84.42 154.38 62.62 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.391 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.888 ' HG3' ' HA3' ' A' ' 101' ' ' GLY . 53.8 Cg_endo -62.09 -8.19 11.54 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.286 3.324 . . . . 0.0 109.629 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 p -103.35 34.43 2.93 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.525 1.141 . . . . 0.0 110.018 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 47.08 81.35 0.04 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.477 1.11 . . . . 0.0 110.967 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -176.88 140.69 0.33 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 0.742 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -97.41 124.94 41.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.271 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.47 -175.34 4.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.578 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -167.43 154.63 8.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.59 ' HB2' ' CD1' ' A' ' 35' ' ' PHE . 21.8 m -70.52 -7.84 46.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 108.302 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.459 ' HA ' ' O ' ' A' ' 54' ' ' THR . . . -106.31 4.19 28.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.95 -17.76 36.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.98 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 62' ' ' LYS . 66.9 m -124.72 -45.57 1.9 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 108.289 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.506 ' O ' ' O ' ' A' ' 54' ' ' THR . 59.3 m-70 -93.26 18.57 9.33 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.752 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.506 ' O ' ' O ' ' A' ' 53' ' ' HIS . 47.9 p 49.28 171.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 110.42 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -52.25 -24.73 7.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.085 . . . . 0.0 109.275 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -130.28 126.88 22.4 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.498 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 74.0 Cg_endo -70.85 -43.96 1.54 Allowed 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.32 3.347 . . . . 0.0 109.61 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.18 -18.42 3.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -87.1 176.45 7.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.45 HG22 ' HD3' ' A' ' 72' ' ' PRO . 74.8 t -78.61 121.7 32.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.16 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.476 ' HA2' HG23 ' A' ' 54' ' ' THR . . . -86.16 -170.27 46.8 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.528 1.142 . . . . 0.0 110.981 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 52' ' ' CYS . 1.4 ttmt -165.32 124.1 1.69 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 0.764 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.916 ' ND2' HD11 ' A' ' 70' ' ' ILE . 89.8 m-20 -79.42 128.55 33.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.0 pt -83.49 6.1 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 53.2 t -87.87 -54.65 7.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 63.5 p -107.41 -35.29 6.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 110.422 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 80.38 34.28 29.45 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.49 1.119 . . . . 0.0 110.965 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -79.92 -95.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 0.736 . . . . 0.0 109.269 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -178.38 122.19 0.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 110.301 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.916 HD11 ' ND2' ' A' ' 63' ' ' ASN . 2.2 mm -111.2 102.28 52.53 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.446 ' HB3' ' HD2' ' A' ' 72' ' ' PRO . 85.4 Cg_exo -50.64 169.99 0.15 Allowed 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.346 3.364 . . . . 0.0 109.579 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.45 ' HD3' HG22 ' A' ' 60' ' ' VAL . 74.6 Cg_exo -38.5 130.65 1.11 Allowed 'Trans proline' 0 N--CA 1.448 -1.175 0 C-N-CA 124.296 3.33 . . . . 0.0 109.608 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 75' ' ' PRO . 3.3 tp -87.19 -32.03 20.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.339 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 73' ' ' LEU . . . -36.93 97.07 0.12 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.695 ' CD ' HD13 ' A' ' 116' ' ' LEU . 24.6 Cg_exo -63.66 -14.27 41.71 Favored 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.323 3.349 . . . . 0.0 109.609 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.54 -44.24 8.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.507 HG12 ' OD1' ' A' ' 78' ' ' ASN . 19.3 t -50.81 -42.66 23.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.239 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.507 ' OD1' HG12 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -103.2 133.96 47.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.5 t -82.95 -1.91 53.64 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.533 1.145 . . . . 0.0 110.388 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt -102.71 29.97 5.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.511 ' CB ' ' HA ' ' A' ' 75' ' ' PRO . 6.5 mmt180 -125.3 -92.1 0.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.313 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.636 ' CD1' ' HB3' ' A' ' 75' ' ' PRO . 1.5 m-30 -66.64 68.06 0.06 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.429 1.081 . . . . 0.0 110.966 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.596 HG22 ' O ' ' A' ' 83' ' ' THR . 22.0 m -131.76 41.46 3.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.407 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -175.57 63.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.326 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.603 HG23 HD21 ' A' ' 8' ' ' LEU . 96.2 mt -41.06 -49.73 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 85' ' ' ILE . 0.3 OUTLIER -39.55 -57.1 1.53 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -101.72 94.06 5.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER 174.16 -34.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.435 1.084 . . . . 0.0 109.277 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.405 ' HA ' ' OH ' ' A' ' 12' ' ' TYR . 0.5 OUTLIER -74.39 -27.44 60.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -83.73 -50.41 8.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 3.7 mm-40 -52.94 -20.46 3.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.26 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.577 ' CD1' ' HD2' ' A' ' 109' ' ' LYS . 0.1 OUTLIER -79.58 -26.87 41.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.577 HG23 ' OD2' ' A' ' 103' ' ' ASP . 1.0 OUTLIER -87.76 -33.66 18.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.375 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -72.57 -34.3 67.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 1.168 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.574 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.2 t60 -63.75 -60.4 3.35 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.746 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.428 ' C ' ' O ' ' A' ' 102' ' ' ALA . 7.6 m -54.52 -26.89 34.45 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.589 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.462 ' HA ' ' N ' ' A' ' 102' ' ' ALA . 1.5 m-20 -77.7 -15.09 59.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -113.16 -0.97 14.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.574 HG13 ' CE1' ' A' ' 95' ' ' HIS . 22.3 mm -113.75 -57.31 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.525 HD12 ' SG ' ' A' ' 104' ' ' CYS . 63.9 mt -92.44 -19.17 22.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.888 ' HA3' ' HG3' ' A' ' 42' ' ' PRO . . . 93.27 13.3 56.2 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.488 1.118 . . . . 0.0 111.017 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.462 ' N ' ' HA ' ' A' ' 97' ' ' ASN . . . -163.15 -173.55 3.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 0.779 . . . . 0.0 109.263 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.577 ' OD2' HG23 ' A' ' 93' ' ' THR . 11.3 t0 -91.26 123.61 34.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.525 ' SG ' HD12 ' A' ' 100' ' ' LEU . 34.0 m -60.54 161.77 7.2 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.966 -1.015 . . . . 0.0 109.574 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.411 ' N ' ' HG2' ' A' ' 108' ' ' GLU . 0.9 OUTLIER -63.63 158.38 59.99 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.01 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -81.07 -24.45 4.66 Favored 'Trans proline' 0 N--CA 1.448 -1.188 0 C-N-CA 124.281 3.321 . . . . 0.0 109.537 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.49 -8.92 49.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.012 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.607 ' OE1' ' CZ ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -95.56 -21.51 18.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.277 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.823 ' O ' HD12 ' A' ' 113' ' ' ILE . 0.2 OUTLIER -72.8 -49.26 31.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.33 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.557 ' HB2' ' CB ' ' A' ' 12' ' ' TYR . . . -59.49 -43.45 93.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.155 . . . . 0.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.485 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 1.7 t-20 -49.96 -64.66 0.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.44 ' CE2' HD11 ' A' ' 116' ' ' LEU . 37.1 t80 -50.11 -46.69 53.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.823 HD12 ' O ' ' A' ' 109' ' ' LYS . 1.5 mt -54.32 -31.2 22.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 111' ' ' ASN . . . -74.4 -60.91 2.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.248 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.598 ' CE1' ' O ' ' A' ' 31' ' ' GLY . 0.6 OUTLIER -50.29 -32.67 17.58 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.795 -179.82 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.695 HD13 ' CD ' ' A' ' 75' ' ' PRO . 10.0 mt -73.07 -41.51 64.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.367 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.854 ' O ' HD12 ' A' ' 117' ' ' LEU . 1.3 pp -90.82 20.87 4.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.7 m . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 110.396 179.985 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.6 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.383 -0.228 . . . . 0.0 110.383 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.514 ' N ' ' ND2' ' A' ' 4' ' ' ASN . 0.4 OUTLIER -78.45 -48.18 15.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -49.34 -49.6 43.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -58.5 -40.69 83.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.45 -50.49 73.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.675 HD21 ' CG1' ' A' ' 85' ' ' ILE . 6.1 mt -54.23 -52.59 60.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.516 HG21 HD21 ' A' ' 117' ' ' LEU . 87.3 t -54.11 -47.34 66.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.312 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -77.68 4.92 10.33 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.809 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.5 mmtt -110.64 -72.36 0.72 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.153 . . . . 0.0 109.276 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.484 ' HE2' HD13 ' A' ' 8' ' ' LEU . 97.9 m-85 -51.39 -21.38 2.25 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.844 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.428 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 29.2 m -76.09 -48.09 22.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 110.392 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.408 ' O ' ' N ' ' A' ' 18' ' ' SER . 54.0 t-20 -62.94 -52.73 61.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.0 mt -50.71 -45.21 27.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.68 -37.75 88.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.508 ' ND1' ' O ' ' A' ' 23' ' ' TYR . 33.2 t60 -71.38 -27.11 63.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.57 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 14' ' ' ASN . 46.0 t -72.61 -25.12 61.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.064 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.78 -35.07 14.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.42 ' ND2' ' HG3' ' A' ' 22' ' ' MET . 0.1 OUTLIER -138.23 117.73 9.81 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.323 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -80.13 41.05 1.05 Allowed 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.362 3.375 . . . . 0.0 109.594 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.42 ' HG3' ' ND2' ' A' ' 20' ' ' ASN . 1.4 mtp -142.3 35.88 1.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 111.009 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.508 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 58.5 t80 -149.47 117.66 6.4 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.824 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -96.92 -46.91 6.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.307 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.678 ' HB1' ' CD ' ' A' ' 26' ' ' PRO . . . -167.14 176.45 1.73 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.678 ' CD ' ' HB1' ' A' ' 25' ' ' ALA . 15.6 Cg_exo -71.28 -171.21 0.57 Allowed 'Trans proline' 0 N--CA 1.446 -1.268 0 C-N-CA 124.348 3.365 . . . . 0.0 109.633 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.99 24.47 0.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.971 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 36.7 pt 42.51 49.44 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.253 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 39.5 m -131.29 -52.01 1.02 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.148 . . . . 0.0 110.351 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.33 -39.06 72.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.098 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.401 ' O ' ' CG ' ' A' ' 115' ' ' TYR . . . -71.79 58.46 1.33 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.525 1.14 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.504 ' HG2' ' CZ ' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -154.18 -63.57 0.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 0.784 . . . . 0.0 109.278 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 30.0 mt -78.17 -43.51 27.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -57.13 -22.04 37.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.962 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.598 ' CD1' ' CB ' ' A' ' 49' ' ' CYS . 87.2 t80 -106.81 7.05 30.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 111.013 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -143.57 26.84 1.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.468 ' O ' ' N ' ' A' ' 39' ' ' PHE . 2.4 tpm_? -103.92 93.69 5.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -47.32 94.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.612 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 26.8 p90 -101.45 163.43 12.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.15 134.53 53.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.426 ' HB ' ' HD2' ' A' ' 42' ' ' PRO . 23.0 p -84.05 154.59 63.98 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.378 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.814 ' HG3' ' HA3' ' A' ' 101' ' ' GLY . 61.6 Cg_endo -64.73 -6.03 11.58 Favored 'Trans proline' 0 N--CA 1.446 -1.29 0 C-N-CA 124.334 3.356 . . . . 0.0 109.61 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.8 p -98.27 8.93 44.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.073 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.03 75.46 0.5 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.445 1.091 . . . . 0.0 111.006 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -170.58 136.37 1.25 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 0.777 . . . . 0.0 109.318 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -91.02 122.33 33.59 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 110.316 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.94 -177.11 4.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.426 1.079 . . . . 0.0 109.37 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.612 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -167.07 155.06 9.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.108 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.598 ' CB ' ' CD1' ' A' ' 35' ' ' PHE . 31.0 m -68.78 -9.29 50.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 108.342 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.423 ' HA ' ' O ' ' A' ' 54' ' ' THR . . . -106.61 3.19 26.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.409 ' HB2' ' O ' ' A' ' 48' ' ' ALA . 0.4 OUTLIER -83.61 -18.05 39.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.994 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 57.4 m -125.17 -46.28 1.81 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 108.354 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.912 ' CE1' HD23 ' A' ' 73' ' ' LEU . 74.4 m-70 -91.67 16.91 9.66 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.759 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.523 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 43.2 p 50.65 168.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.391 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.407 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 9.0 p30 -51.88 -25.82 8.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -129.05 123.39 21.78 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.522 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 55.2 Cg_endo -68.98 -38.79 8.98 Favored 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.3 3.333 . . . . 0.0 109.652 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.627 ' HA ' ' HB2' ' A' ' 74' ' ' ALA . . . -59.6 -14.68 14.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -93.22 169.16 10.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 27.6 t -70.13 136.12 26.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.351 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -109.52 -178.64 21.21 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.552 1.158 . . . . 0.0 110.96 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.0 ttmm -156.56 136.96 13.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 0.774 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.922 ' ND2' HD11 ' A' ' 70' ' ' ILE . 87.0 m-20 -87.01 130.57 34.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.5 pt -85.99 9.7 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.348 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 61.7 t -91.48 -55.34 6.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 71.3 p -109.03 -33.3 6.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.403 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 79.71 35.18 29.19 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -78.14 -92.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 0.0 109.298 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -179.01 119.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.294 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.922 HD11 ' ND2' ' A' ' 63' ' ' ASN . 3.2 mm -108.93 122.9 38.56 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -70.94 160.03 50.64 Favored 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.327 3.352 . . . . 0.0 109.608 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.412 ' HB3' ' O ' ' A' ' 58' ' ' ALA . 4.6 Cg_endo -45.67 129.64 11.74 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.33 3.353 . . . . 0.0 109.573 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.912 HD23 ' CE1' ' A' ' 53' ' ' HIS . 0.1 OUTLIER -75.68 -29.79 59.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.304 -179.914 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.627 ' HB2' ' HA ' ' A' ' 58' ' ' ALA . . . -30.48 108.39 0.25 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.567 ' HB2' ' CD2' ' A' ' 82' ' ' PHE . 81.3 Cg_endo -79.32 44.25 1.66 Allowed 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 124.329 3.353 . . . . 0.0 109.612 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.9 ttp85 -157.19 -54.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.312 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.463 HG12 ' OD1' ' A' ' 78' ' ' ASN . 14.3 t -40.82 -42.91 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.481 ' N ' ' OD1' ' A' ' 78' ' ' ASN . 0.2 OUTLIER -100.54 154.0 18.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.5 p -94.67 3.9 54.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.408 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.54 49.81 1.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 50.3 mmt-85 -140.71 157.06 45.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 110.308 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.567 ' CD2' ' HB2' ' A' ' 75' ' ' PRO . 3.7 m-30 44.98 51.11 8.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 91.1 m -81.39 -61.79 1.84 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 110.436 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -87.24 94.07 9.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.341 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.675 ' CG1' HD21 ' A' ' 8' ' ' LEU . 13.7 tt -63.94 -12.7 12.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -76.99 -65.89 0.89 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.252 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.88 58.25 3.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.122 . . . . 0.0 109.292 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -140.77 -39.49 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.348 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.32 -42.7 79.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -69.53 -46.17 67.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.407 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 3.4 mm-40 -55.67 -19.87 12.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -83.4 -23.0 32.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.963 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.411 ' OG1' ' CG ' ' A' ' 103' ' ' ASP . 1.0 OUTLIER -92.0 -32.6 15.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.395 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.85 -32.86 63.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.578 1.173 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.566 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.4 t60 -66.13 -58.12 6.14 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.754 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.423 ' C ' ' O ' ' A' ' 102' ' ' ALA . 6.2 m -56.13 -26.15 49.0 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.617 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.462 ' HA ' ' N ' ' A' ' 102' ' ' ALA . 1.8 m-80 -78.0 -13.49 59.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.573 1.171 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -118.54 6.5 11.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.566 HG13 ' CE1' ' A' ' 95' ' ' HIS . 18.3 mm -121.88 -48.2 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.545 HD12 ' SG ' ' A' ' 104' ' ' CYS . 48.0 mt -102.7 -25.26 13.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.814 ' HA3' ' HG3' ' A' ' 42' ' ' PRO . . . 102.91 10.86 36.16 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.527 1.142 . . . . 0.0 110.962 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.462 ' N ' ' HA ' ' A' ' 97' ' ' ASN . . . -166.51 -176.76 3.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.433 0.725 . . . . 0.0 109.311 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.411 ' CG ' ' OG1' ' A' ' 93' ' ' THR . 47.0 t0 -85.19 132.5 34.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.545 ' SG ' HD12 ' A' ' 100' ' ' LEU . 55.9 m -73.9 160.55 31.24 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.6 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.1 m -72.14 141.64 84.01 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.984 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -61.09 -16.41 45.74 Favored 'Trans proline' 0 N--CA 1.446 -1.285 0 C-N-CA 124.342 3.362 . . . . 0.0 109.601 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 60.8 p -89.45 -38.89 13.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.976 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -61.7 -23.08 65.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 110.315 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.454 ' C ' ' N ' ' A' ' 111' ' ' ASN . 36.8 mtmt -88.01 -56.9 3.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.464 ' HB2' ' CB ' ' A' ' 12' ' ' TYR . . . -40.28 -29.44 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.454 ' N ' ' C ' ' A' ' 109' ' ' LYS . 0.3 OUTLIER -79.49 -58.1 3.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.665 ' CE2' HD22 ' A' ' 116' ' ' LEU . 78.9 t80 -46.55 -44.58 18.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.978 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.564 ' O ' HD23 ' A' ' 117' ' ' LEU . 1.3 mt -56.93 -35.94 48.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 117' ' ' LEU . . . -67.35 -67.79 0.43 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.15 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.504 ' CZ ' ' HG2' ' A' ' 32' ' ' LYS . 1.3 t80 -45.02 -31.11 1.2 Allowed 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.796 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.665 HD22 ' CE2' ' A' ' 112' ' ' PHE . 0.4 OUTLIER -73.21 -40.96 64.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.773 ' O ' HD12 ' A' ' 117' ' ' LEU . 1.1 pp -92.31 23.12 4.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.634 ' O ' HG23 ' A' ' 118' ' ' THR . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.45 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.1 m . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.348 -0.241 . . . . 0.0 110.348 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.506 ' N ' ' ND2' ' A' ' 4' ' ' ASN . 0.3 OUTLIER -81.87 -50.48 9.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.949 ' HB1' HD21 ' A' ' 117' ' ' LEU . . . -51.9 -52.12 52.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -60.67 -35.46 76.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.29 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 11' ' ' LYS . 0.7 OUTLIER -62.63 -50.35 71.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.788 HD11 ' CG1' ' A' ' 88' ' ' VAL . 6.5 mt -52.38 -45.6 65.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.336 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.519 HG22 HG22 ' A' ' 113' ' ' ILE . 82.7 t -58.81 -56.84 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.255 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -69.38 -5.03 20.83 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.813 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 7' ' ' LYS . 19.3 mmtt -97.73 -72.05 0.66 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.353 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.791 ' CB ' ' HB2' ' A' ' 110' ' ' ALA . 74.7 m-85 -52.48 -21.06 3.35 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.859 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.48 ' CG2' ' O ' ' A' ' 24' ' ' GLU . 24.1 m -77.27 -49.86 14.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.38 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.53 -54.99 39.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.7 mt -50.74 -51.77 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.94 -56.83 10.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.406 ' HA ' ' O ' ' A' ' 20' ' ' ASN . 72.6 t60 -59.64 -31.44 69.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.648 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 43.3 t -70.34 -14.16 62.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.017 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -101.48 -40.92 6.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.406 ' O ' ' HA ' ' A' ' 17' ' ' HIS . 1.0 OUTLIER -139.13 126.15 12.88 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.33 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -70.11 -3.27 11.9 Favored 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.282 3.321 . . . . 0.0 109.602 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -82.91 -41.17 19.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -82.81 129.53 35.0 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.818 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.48 ' O ' ' CG2' ' A' ' 13' ' ' THR . 2.7 mt-10 -121.76 -44.1 2.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.272 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.679 ' HB1' ' CD ' ' A' ' 26' ' ' PRO . . . -165.52 176.35 2.03 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.679 ' CD ' ' HB1' ' A' ' 25' ' ' ALA . 13.4 Cg_exo -72.17 173.77 12.45 Favored 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.332 3.354 . . . . 0.0 109.618 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.441 ' C ' ' N ' ' A' ' 29' ' ' THR . 0.1 OUTLIER -145.09 18.46 1.59 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 109.988 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.468 ' C ' ' CE2' ' A' ' 115' ' ' TYR . 24.0 pt 40.21 29.91 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.322 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.573 HG22 ' O ' ' A' ' 29' ' ' THR . 2.0 m -138.94 11.8 2.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 110.365 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.84 -37.32 3.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.456 ' N ' ' OD1' ' A' ' 111' ' ' ASN . . . -77.85 53.6 3.72 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.515 1.134 . . . . 0.0 111.019 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.502 ' HG2' ' CZ ' ' A' ' 115' ' ' TYR . 0.1 OUTLIER -134.51 -65.98 0.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 0.75 . . . . 0.0 109.317 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 43.9 mt -67.39 -28.93 43.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.255 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.446 ' CZ ' ' OE1' ' A' ' 108' ' ' GLU . 45.7 t80 -71.59 -19.05 62.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.968 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.58 ' CD1' ' HB2' ' A' ' 49' ' ' CYS . 81.2 t80 -107.99 7.23 27.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.59 1.181 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 3.7 m-80 -137.32 21.18 2.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.258 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.3 ttt85 -96.96 115.34 27.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.307 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.8 ttmm -71.01 97.68 1.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.418 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 32.1 p90 -106.21 162.74 13.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 111.023 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.424 ' HG2' ' N ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -106.75 137.87 43.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -111.11 149.04 39.92 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.405 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -80.54 45.47 1.99 Allowed 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 124.35 3.367 . . . . 0.0 109.621 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.5 t 179.69 57.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.025 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 151.04 -98.36 0.18 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.491 1.119 . . . . 0.0 111.03 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.522 ' O ' ' C ' ' A' ' 46' ' ' GLU . 0.1 OUTLIER 175.72 172.7 0.32 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 0.754 . . . . 0.0 109.311 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.522 ' C ' ' O ' ' A' ' 45' ' ' LYS . 0.2 OUTLIER -28.14 136.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.295 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -149.07 -170.2 3.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.418 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -171.87 148.64 2.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.259 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.58 ' HB2' ' CD1' ' A' ' 35' ' ' PHE . 33.6 m -62.25 -15.3 46.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 108.293 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.433 ' HA ' ' O ' ' A' ' 54' ' ' THR . . . -98.6 4.08 48.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 109.34 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 83.7 p -75.77 -27.26 57.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 109.995 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 65.6 m -120.18 -47.09 2.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.163 . . . . 0.0 108.324 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.511 ' O ' ' OG1' ' A' ' 54' ' ' THR . 65.4 m-70 -84.22 14.62 4.14 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.76 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.511 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 45.6 p 50.06 172.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 110.369 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -52.41 -23.38 5.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.246 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -133.33 128.49 20.32 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.503 ' CB ' HD23 ' A' ' 73' ' ' LEU . 83.6 Cg_endo -72.81 -40.67 1.8 Allowed 'Trans proline' 0 N--CA 1.448 -1.169 0 C-N-CA 124.317 3.345 . . . . 0.0 109.585 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.418 ' HA ' ' HB2' ' A' ' 74' ' ' ALA . . . -57.63 -16.61 11.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 109.305 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -88.98 173.83 8.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.1 t -75.71 118.94 22.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.456 ' HA2' HG23 ' A' ' 54' ' ' THR . . . -89.5 -174.53 46.0 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.487 1.117 . . . . 0.0 111.036 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -161.39 135.63 6.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 0.754 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.943 ' ND2' HD11 ' A' ' 70' ' ' ILE . 87.2 m-20 -86.5 129.57 34.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 7.5 pt -83.42 5.91 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 71.0 t -86.24 -55.02 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.344 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 67.7 p -108.01 -33.31 7.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.105 . . . . 0.0 110.39 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 81.07 36.97 20.13 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.7 -95.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.771 . . . . 0.0 109.338 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -178.62 122.86 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.332 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.943 HD11 ' ND2' ' A' ' 63' ' ' ASN . 3.0 mm -108.42 107.12 59.86 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.415 ' HB3' ' HD2' ' A' ' 72' ' ' PRO . 77.8 Cg_exo -49.84 165.76 0.29 Allowed 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 124.282 3.322 . . . . 0.0 109.651 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.439 ' O ' ' ND2' ' A' ' 78' ' ' ASN . 1.4 Cg_endo -42.47 126.69 4.09 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.337 3.358 . . . . 0.0 109.575 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.503 HD23 ' CB ' ' A' ' 57' ' ' PRO . 7.4 tp -76.89 -31.49 56.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.629 ' HB3' ' HB ' ' A' ' 77' ' ' VAL . . . -37.98 98.28 0.16 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.604 ' HB3' ' CD1' ' A' ' 82' ' ' PHE . 24.0 Cg_exo -63.3 -15.97 51.57 Favored 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.378 3.385 . . . . 0.0 109.603 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -96.92 -44.36 7.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.321 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.629 ' HB ' ' HB3' ' A' ' 74' ' ' ALA . 41.5 t -54.85 -40.51 52.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 72' ' ' PRO . 0.5 OUTLIER -93.86 136.49 34.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.279 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.3 p -84.79 -3.61 58.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.374 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 11.9 mttm -111.15 43.75 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.248 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.473 ' CB ' ' HA ' ' A' ' 75' ' ' PRO . 46.6 mmt-85 -144.65 170.38 16.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.293 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.604 ' CD1' ' HB3' ' A' ' 75' ' ' PRO . 1.9 m-30 37.92 68.54 0.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 11.7 m -108.32 -68.44 0.91 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.443 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 52.9 t0 -76.64 114.47 15.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.48 ' CG1' ' HB3' ' A' ' 4' ' ' ASN . 9.3 mt -61.93 -41.63 91.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.56 -70.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 88' ' ' VAL . 7.5 tttt -45.6 -66.61 0.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.788 ' CG1' HD11 ' A' ' 8' ' ' LEU . 0.9 OUTLIER -37.86 -41.04 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.317 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -98.85 72.3 1.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.317 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -174.46 -68.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.348 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.495 ' HG3' ' N ' ' A' ' 92' ' ' PHE . 7.0 pt-20 -57.44 -36.67 71.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.547 ' CD1' ' HD2' ' A' ' 109' ' ' LYS . 0.1 OUTLIER -47.1 -32.85 4.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.671 HG23 ' CG ' ' A' ' 103' ' ' ASP . 0.9 OUTLIER -85.0 -44.62 12.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.411 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.12 -23.1 66.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.461 ' O ' ' CG1' ' A' ' 99' ' ' ILE . 1.9 t60 -68.98 -56.73 6.89 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.784 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 21.0 m -62.2 -30.52 71.14 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.331 -0.85 . . . . 0.0 109.571 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -76.86 -16.74 59.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -119.5 15.9 12.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.461 ' CG1' ' O ' ' A' ' 95' ' ' HIS . 7.0 mm -131.76 -44.95 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.5 mt -103.77 -36.97 7.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 111.21 18.53 8.12 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.508 1.13 . . . . 0.0 110.969 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -163.85 -176.48 4.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 0.789 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.671 ' CG ' HG23 ' A' ' 93' ' ' THR . 2.3 t0 -97.25 109.11 21.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.409 ' O ' ' O ' ' A' ' 103' ' ' ASP . 6.1 m -43.41 164.91 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.59 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.462 ' O ' ' HG3' ' A' ' 108' ' ' GLU . 10.4 p -84.13 153.24 62.88 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.997 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.402 ' HD2' ' HB2' ' A' ' 105' ' ' SER . 43.1 Cg_endo -69.69 -8.96 24.95 Favored 'Trans proline' 0 N--CA 1.446 -1.278 0 C-N-CA 124.328 3.352 . . . . 0.0 109.615 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 60.5 p -93.46 -46.45 7.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 0.0 109.99 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.47 ' C ' ' CD ' ' A' ' 108' ' ' GLU . 1.6 pp20? -64.8 -19.71 65.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.3 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.547 ' HD2' ' CD1' ' A' ' 92' ' ' PHE . 2.8 tppp? -75.8 -62.88 1.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.791 ' HB2' ' CB ' ' A' ' 12' ' ' TYR . . . -51.3 -26.09 6.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.456 ' OD1' ' N ' ' A' ' 31' ' ' GLY . 5.7 t-20 -72.14 -64.13 1.0 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.334 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.867 ' CE2' HD11 ' A' ' 116' ' ' LEU . 89.5 t80 -43.67 -45.65 7.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 110.959 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.519 HG22 HG22 ' A' ' 9' ' ' VAL . 1.9 mt -55.48 -42.07 66.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 116' ' ' LEU . . . -60.13 -73.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.502 ' CZ ' ' HG2' ' A' ' 32' ' ' LYS . 0.2 OUTLIER -39.55 -29.02 0.05 OUTLIER 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.047 -0.979 . . . . 0.0 109.841 -179.938 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.867 HD11 ' CE2' ' A' ' 112' ' ' PHE . 13.8 mt -76.24 -51.51 11.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.949 HD21 ' HB1' ' A' ' 5' ' ' ALA . 11.8 mt -64.83 -19.95 66.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 110.42 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 110.345 -0.242 . . . . 0.0 110.345 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.712 ' CG ' HD11 ' A' ' 85' ' ' ILE . 0.5 OUTLIER -75.4 -46.1 34.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -49.81 -47.87 51.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -66.89 -32.15 73.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 110.336 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.54 -46.57 72.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 0.0 109.256 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.415 HD11 HG11 ' A' ' 88' ' ' VAL . 6.9 mt -55.39 -49.31 72.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.261 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.51 HG21 HD21 ' A' ' 117' ' ' LEU . 73.5 t -57.01 -51.02 74.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -71.33 -3.32 20.01 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.791 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -102.14 -73.4 0.66 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.832 ' HB2' ' HB2' ' A' ' 110' ' ' ALA . 81.7 m-85 -48.77 -22.79 0.87 Allowed 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.855 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.437 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 48.2 m -77.61 -50.62 12.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.38 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -59.89 -54.09 50.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.0 mt -49.02 -48.95 16.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.457 ' O ' ' ND2' ' A' ' 20' ' ' ASN . . . -60.19 -51.06 71.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.447 ' ND1' ' O ' ' A' ' 23' ' ' TYR . 72.4 t60 -58.01 -29.32 65.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.595 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 28.0 t -71.07 -23.67 62.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.0 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -87.92 -37.98 15.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 16' ' ' ALA . 0.2 OUTLIER -140.33 129.17 13.14 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -84.87 40.82 0.87 Allowed 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 124.303 3.335 . . . . 0.0 109.627 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.4 ptt? -141.39 32.56 1.69 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 111.037 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.447 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 77.8 t80 -153.11 111.76 3.71 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.849 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -93.15 -47.98 6.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 0.0 110.345 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.662 ' HB1' ' CD ' ' A' ' 26' ' ' PRO . . . -165.35 175.83 2.28 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.662 ' CD ' ' HB1' ' A' ' 25' ' ' ALA . 16.8 Cg_exo -70.83 -174.04 1.02 Allowed 'Trans proline' 0 N--CA 1.447 -1.255 0 C-N-CA 124.336 3.357 . . . . 0.0 109.609 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.48 20.35 0.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.954 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.689 HG21 HG21 ' A' ' 118' ' ' THR . 31.4 pt 41.76 49.1 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.416 HG22 ' O ' ' A' ' 29' ' ' THR . 89.0 m -151.94 35.82 0.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.117 . . . . 0.0 110.335 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -142.24 -47.12 0.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.354 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -49.35 -23.75 4.6 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 111.035 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.424 ' HD2' ' N ' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -74.94 -42.05 58.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 0.751 . . . . 0.0 109.319 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.596 HG23 ' O ' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -88.26 7.83 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.513 ' CG ' ' O ' ' A' ' 34' ' ' PHE . 80.0 t80 -126.47 31.23 5.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.569 ' CD1' ' HB2' ' A' ' 49' ' ' CYS . 34.2 t80 -146.46 -40.66 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -100.76 -5.23 26.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.42 ' HD2' HD12 ' A' ' 33' ' ' ILE . 22.3 ttt85 -68.15 96.48 0.64 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -55.41 100.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.575 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 29.0 p90 -106.26 162.25 13.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 110.965 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.6 ttmt -103.59 153.44 20.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 43.6 p -107.97 153.46 41.67 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 110.429 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.787 ' HG3' ' HA3' ' A' ' 101' ' ' GLY . 64.0 Cg_endo -65.13 -7.84 16.68 Favored 'Trans proline' 0 N--CA 1.447 -1.259 0 C-N-CA 124.342 3.361 . . . . 0.0 109.625 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 p -104.15 32.75 3.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 110.003 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 38.48 78.57 0.05 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.455 1.097 . . . . 0.0 111.021 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.6 tttp -179.84 88.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 0.781 . . . . 0.0 109.266 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.67 153.51 0.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -160.93 -169.26 2.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.575 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -172.82 157.5 3.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.569 ' HB2' ' CD1' ' A' ' 35' ' ' PHE . 49.5 m -72.93 -10.34 59.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 108.31 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.444 ' HA ' ' O ' ' A' ' 54' ' ' THR . . . -102.27 1.69 36.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.401 ' HB2' ' O ' ' A' ' 48' ' ' ALA . 0.4 OUTLIER -81.73 -15.27 54.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.99 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 26.4 m -128.61 -48.01 1.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 108.261 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.494 ' O ' ' O ' ' A' ' 54' ' ' THR . 84.3 m-70 -89.76 17.82 6.2 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.761 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.573 HG23 ' HA2' ' A' ' 61' ' ' GLY . 66.2 p 49.39 172.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 110.362 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -56.78 -24.08 47.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.107 . . . . 0.0 109.269 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -131.65 126.94 21.26 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.367 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -71.32 -41.66 2.36 Favored 'Trans proline' 0 N--CA 1.447 -1.237 0 C-N-CA 124.281 3.321 . . . . 0.0 109.641 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.23 -17.37 7.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.271 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -89.42 172.91 8.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.703 HG22 ' HD3' ' A' ' 72' ' ' PRO . 74.1 t -76.07 121.8 28.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.573 ' HA2' HG23 ' A' ' 54' ' ' THR . . . -88.97 -173.6 46.59 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.507 1.129 . . . . 0.0 111.002 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.7 ttmt -163.96 135.08 4.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 0.792 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.881 ' ND2' HD11 ' A' ' 70' ' ' ILE . 90.4 m-20 -86.61 130.12 34.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.6 pt -84.56 6.22 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 58.8 t -87.43 -53.52 9.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.268 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 71.1 p -108.99 -33.34 6.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 110.428 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 80.86 35.6 24.4 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.467 1.104 . . . . 0.0 111.025 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.406 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 2.4 mmtp -81.35 -95.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 0.772 . . . . 0.0 109.244 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.406 ' HB3' ' O ' ' A' ' 68' ' ' LYS . 12.0 pt-20 -179.95 123.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.881 HD11 ' ND2' ' A' ' 63' ' ' ASN . 1.8 mm -114.78 92.26 29.1 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.404 ' HD3' ' O ' ' A' ' 69' ' ' GLU . 75.1 Cg_exo -45.73 164.82 0.07 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.321 3.347 . . . . 0.0 109.607 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.703 ' HD3' HG22 ' A' ' 60' ' ' VAL . 75.0 Cg_exo -34.2 134.41 0.13 Allowed 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.319 3.346 . . . . 0.0 109.626 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 74' ' ' ALA . 7.1 tp -98.56 -26.56 14.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 73' ' ' LEU . . . -35.88 115.67 0.6 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.567 ' HB2' ' CD2' ' A' ' 82' ' ' PHE . 72.2 Cg_endo -80.32 45.26 1.92 Allowed 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.299 3.333 . . . . 0.0 109.594 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 10.7 ttt180 -154.37 -57.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 110.26 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.48 HG12 ' OD1' ' A' ' 78' ' ' ASN . 18.9 t -44.85 -41.07 2.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.48 ' OD1' HG12 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -103.72 141.77 35.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 16.9 p -85.07 -0.49 54.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.434 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.48 43.8 1.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.259 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 38.6 mmt-85 -142.73 162.41 35.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.567 ' CD2' ' HB2' ' A' ' 75' ' ' PRO . 2.1 m-30 39.08 57.81 1.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 111.034 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.729 HG22 ' O ' ' A' ' 83' ' ' THR . 1.7 m -129.62 54.62 1.82 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.372 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.435 ' C ' ' N ' ' A' ' 86' ' ' ASP . 39.9 p-10 177.31 66.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.712 HD11 ' CG ' ' A' ' 4' ' ' ASN . 4.3 mp -40.28 -30.07 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.435 ' N ' ' C ' ' A' ' 84' ' ' ASP . 0.6 OUTLIER -54.95 -69.98 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.9 mttp -75.95 66.31 2.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.333 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.415 HG11 HD11 ' A' ' 8' ' ' LEU . 1.1 t -150.76 -49.85 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.39 59.97 0.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.315 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 170.22 -45.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.265 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -58.43 -16.36 14.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.54 ' CD1' ' HD2' ' A' ' 109' ' ' LYS . 0.2 OUTLIER -91.86 -23.14 19.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.997 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.492 ' CG2' ' OD2' ' A' ' 103' ' ' ASP . 1.0 OUTLIER -90.0 -36.67 14.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.432 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt -70.55 -28.82 65.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.477 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.2 t60 -70.88 -59.33 2.85 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.768 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.4 ' C ' ' O ' ' A' ' 102' ' ' ALA . 10.1 m -55.85 -22.23 24.04 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.342 -0.844 . . . . 0.0 109.619 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -83.62 -11.07 57.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.467 ' O ' HD13 ' A' ' 99' ' ' ILE . 0.5 OUTLIER -120.78 9.19 10.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.477 HG13 ' CE1' ' A' ' 95' ' ' HIS . 45.8 mm -125.64 -44.43 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.419 ' O ' ' HD3' ' A' ' 42' ' ' PRO . 50.3 mt -105.2 -29.21 10.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.787 ' HA3' ' HG3' ' A' ' 42' ' ' PRO . . . 103.64 13.94 26.66 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.118 . . . . 0.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 96' ' ' CYS . . . -164.09 -176.69 4.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 0.755 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.492 ' OD2' ' CG2' ' A' ' 93' ' ' THR . 28.9 t0 -90.95 125.52 35.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 25.3 m -62.31 160.52 13.08 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.583 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.0 m -74.78 145.62 81.87 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.477 1.111 . . . . 0.0 109.974 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -60.48 -17.58 48.9 Favored 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 124.32 3.347 . . . . 0.0 109.585 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 78.3 p -86.78 -40.62 14.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.982 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -70.17 -8.18 47.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.345 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.662 ' O ' HD12 ' A' ' 113' ' ' ILE . 0.1 OUTLIER -83.38 -60.54 2.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.832 ' HB2' ' HB2' ' A' ' 12' ' ' TYR . . . -55.62 -34.15 64.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -57.35 -64.39 0.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.655 ' CE2' HD11 ' A' ' 116' ' ' LEU . 70.8 t80 -49.8 -43.22 48.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.662 HD12 ' O ' ' A' ' 109' ' ' LYS . 1.7 mt -56.29 -38.68 56.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 117' ' ' LEU . . . -66.22 -68.5 0.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.417 ' CZ ' ' HB3' ' A' ' 32' ' ' LYS . 0.3 OUTLIER -44.58 -34.56 2.19 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.021 -0.991 . . . . 0.0 109.832 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.655 HD11 ' CE2' ' A' ' 112' ' ' PHE . 7.9 mt -70.78 -41.86 71.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.886 ' O ' HD12 ' A' ' 117' ' ' LEU . 1.1 pp -90.78 17.69 7.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.689 HG21 HG21 ' A' ' 28' ' ' ILE . 23.2 m . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.4 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.9 m . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.438 -0.208 . . . . 0.0 110.438 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.937 ' HB3' HD12 ' A' ' 85' ' ' ILE . 0.9 OUTLIER -90.42 -54.98 3.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.921 ' HB1' HD21 ' A' ' 117' ' ' LEU . . . -49.36 -51.03 37.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.7 tp10 -52.58 -40.88 63.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 110.272 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.417 ' HD2' ' N ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -62.7 -54.24 42.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.28 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.455 ' HG ' HD11 ' A' ' 85' ' ' ILE . 11.5 mt -47.93 -39.81 20.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 5' ' ' ALA . 44.4 t -67.02 -49.56 72.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -71.51 -2.7 17.75 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.835 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.8 mptt -104.71 -75.79 0.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.528 ' CB ' ' HB2' ' A' ' 110' ' ' ALA . 59.5 m-85 -45.35 -25.15 0.36 Allowed 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.843 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.443 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 54.1 m -74.94 -55.46 5.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.347 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -54.55 -56.51 18.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.7 mt -47.48 -50.95 7.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.18 -48.54 78.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.448 ' ND1' ' O ' ' A' ' 23' ' ' TYR . 74.2 t60 -62.11 -31.39 71.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.592 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 37.6 t -70.34 -20.47 62.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.004 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -97.31 -33.68 11.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.417 ' ND2' ' HG2' ' A' ' 22' ' ' MET . 0.1 OUTLIER -138.0 115.42 9.42 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -77.89 41.88 1.08 Allowed 'Trans proline' 0 N--CA 1.448 -1.178 0 C-N-CA 124.284 3.322 . . . . 0.0 109.61 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.417 ' HG2' ' ND2' ' A' ' 20' ' ' ASN . 9.5 ptm -144.49 33.02 1.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 111.021 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.448 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 72.7 t80 -152.6 114.96 4.46 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 114.953 -1.021 . . . . 0.0 109.825 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -95.75 -48.65 5.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.313 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.687 ' HB1' ' CD ' ' A' ' 26' ' ' PRO . . . -160.76 176.8 2.33 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.425 1.078 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.687 ' CD ' ' HB1' ' A' ' 25' ' ' ALA . 24.6 Cg_exo -68.04 167.22 22.31 Favored 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.37 3.38 . . . . 0.0 109.606 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.412 ' O ' ' CG1' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -132.45 13.64 4.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.954 -179.924 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.412 ' CG1' ' O ' ' A' ' 27' ' ' SER . 46.2 pt 44.7 56.61 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 52.0 m -140.46 -53.51 0.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.407 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -64.61 -27.12 68.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.152 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.533 ' HA3' ' CD2' ' A' ' 115' ' ' TYR . . . -70.5 57.95 0.91 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.468 1.105 . . . . 0.0 110.987 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.505 ' HG2' ' CZ ' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -156.01 -64.64 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 0.756 . . . . 0.0 109.298 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 55.6 mt -63.62 -52.17 60.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -54.34 -20.59 7.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 111.012 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.427 ' O ' ' OD1' ' A' ' 36' ' ' ASN . 82.1 t80 -108.13 5.77 26.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 110.966 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.427 ' OD1' ' O ' ' A' ' 35' ' ' PHE . 84.2 m-20 -143.81 27.57 1.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -107.8 94.86 5.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.279 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.4 ttpp -49.49 94.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.567 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 24.4 p90 -98.49 164.5 12.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 67.6 tttt -107.42 140.68 39.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.418 ' HB ' ' HD2' ' A' ' 42' ' ' PRO . 19.4 p -97.36 154.24 38.11 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.378 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.778 ' HG3' ' HA3' ' A' ' 101' ' ' GLY . 58.6 Cg_endo -63.96 -7.62 13.81 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.332 3.355 . . . . 0.0 109.556 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 44' ' ' GLY . 1.1 p -105.31 32.42 4.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.035 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 43' ' ' SER . . . 37.7 81.68 0.02 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 179.53 82.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 0.746 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -41.68 153.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -164.36 -176.04 4.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.567 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -162.09 155.95 21.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.511 ' O ' ' HB2' ' A' ' 53' ' ' HIS . 85.8 m -69.8 -9.48 54.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 108.302 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.549 ' HB1' ' HA ' ' A' ' 55' ' ' ASN . . . -110.44 10.51 23.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.58 -40.28 56.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.995 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 43.4 m -109.57 -32.77 7.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 108.296 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.512 ' O ' ' OG1' ' A' ' 54' ' ' THR . 70.7 m-70 -94.26 13.7 22.62 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.785 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.537 ' C ' ' HB1' ' A' ' 50' ' ' ALA . 47.7 p 50.2 172.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.112 . . . . 0.0 110.388 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.549 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 4.6 p30 -59.25 -18.05 33.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -131.2 126.27 21.38 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -71.7 -48.21 0.42 Allowed 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.271 3.314 . . . . 0.0 109.652 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.403 ' HA ' ' HB2' ' A' ' 74' ' ' ALA . . . -53.16 -19.72 3.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -84.41 178.28 7.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 38.5 t -79.03 153.35 4.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -127.97 -174.98 13.91 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.486 1.116 . . . . 0.0 110.982 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -176.72 132.53 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 0.765 . . . . 0.0 109.255 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -80.45 136.49 36.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.0 pt -88.69 12.45 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 109.272 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 55.9 t -92.67 -54.78 6.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 72.5 p -102.74 -30.81 10.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.39 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 85.63 43.55 6.44 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.488 1.117 . . . . 0.0 111.028 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.61 -169.17 2.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.55 0.794 . . . . 0.0 109.35 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -121.09 98.83 6.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.276 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.573 HG23 ' HD2' ' A' ' 71' ' ' PRO . 3.8 mm -83.22 135.46 44.42 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.573 ' HD2' HG23 ' A' ' 70' ' ' ILE . 72.9 Cg_endo -76.81 170.13 20.42 Favored 'Trans proline' 0 N--CA 1.448 -1.175 0 C-N-CA 124.271 3.314 . . . . 0.0 109.593 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.471 ' HD2' ' CB ' ' A' ' 71' ' ' PRO . 6.1 Cg_endo -46.07 131.13 13.96 Favored 'Trans proline' 0 N--CA 1.447 -1.26 0 C-N-CA 124.261 3.307 . . . . 0.0 109.64 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.455 ' O ' ' C ' ' A' ' 74' ' ' ALA . 9.1 tp -86.86 -27.89 23.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.341 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.455 ' C ' ' O ' ' A' ' 73' ' ' LEU . . . -36.5 114.58 0.62 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.684 ' HG3' HD23 ' A' ' 116' ' ' LEU . 84.2 Cg_endo -79.48 47.76 2.62 Favored 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.319 3.346 . . . . 0.0 109.626 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.664 ' CZ ' HD22 ' A' ' 117' ' ' LEU . 13.7 ttm180 -159.73 -58.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.256 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 31.4 t -42.58 -42.39 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.269 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.507 ' OD1' ' N ' ' A' ' 78' ' ' ASN . 0.4 OUTLIER -118.92 114.25 22.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 19.4 p -58.25 -16.37 13.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.42 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.5 mmpt? -64.53 -21.62 66.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.443 ' CB ' ' HA ' ' A' ' 75' ' ' PRO . 19.0 mmt-85 -80.1 159.53 26.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.659 ' CD2' ' HB2' ' A' ' 75' ' ' PRO . 5.8 m-30 45.75 57.79 4.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.986 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 44.5 m -79.71 -63.87 1.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.467 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -90.52 102.94 15.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.937 HD12 ' HB3' ' A' ' 4' ' ' ASN . 6.4 tt -71.79 -5.0 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -89.01 -37.49 15.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.137 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 89' ' ' GLU . 13.7 mttt -86.33 -57.19 3.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.447 HG21 ' CD1' ' A' ' 82' ' ' PHE . 0.4 OUTLIER -39.88 -30.01 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 87' ' ' LYS . 30.5 mt-10 -72.06 -54.73 8.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.57 1.168 . . . . 0.0 110.325 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -65.23 -49.87 68.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -48.16 -44.16 32.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.343 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.544 ' CG ' ' HD2' ' A' ' 109' ' ' LYS . 0.1 OUTLIER -56.86 -27.11 59.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 111.017 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.431 HG23 ' CG ' ' A' ' 103' ' ' ASP . 1.1 m -88.22 -36.9 16.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.44 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.21 -25.58 59.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.464 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.4 t60 -70.25 -59.97 2.56 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.78 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.427 ' C ' ' O ' ' A' ' 102' ' ' ALA . 3.7 m -56.15 -21.62 23.82 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.564 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -84.7 -12.82 53.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.06 6.38 11.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.464 HG13 ' CE1' ' A' ' 95' ' ' HIS . 46.3 mm -122.22 -49.03 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.718 HD12 ' SG ' ' A' ' 104' ' ' CYS . 64.5 mt -99.53 -32.15 11.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.778 ' HA3' ' HG3' ' A' ' 42' ' ' PRO . . . 107.11 14.93 17.45 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.461 1.101 . . . . 0.0 110.956 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.427 ' O ' ' C ' ' A' ' 96' ' ' CYS . . . -167.39 -170.85 1.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 0.78 . . . . 0.0 109.285 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.431 ' CG ' HG23 ' A' ' 93' ' ' THR . 9.1 t0 -95.3 121.09 36.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.718 ' SG ' HD12 ' A' ' 100' ' ' LEU . 64.1 m -60.92 161.74 7.84 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.562 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.476 ' OG ' ' CG ' ' A' ' 108' ' ' GLU . 53.2 p -77.48 143.31 68.13 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.975 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -59.41 -15.23 28.84 Favored 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.323 3.349 . . . . 0.0 109.614 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 79.6 p -85.16 -43.83 13.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.986 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.476 ' CG ' ' OG ' ' A' ' 105' ' ' SER . 2.7 mm-40 -69.04 -8.78 48.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 110.349 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.544 ' HD2' ' CG ' ' A' ' 92' ' ' PHE . 2.5 tppt? -88.16 -65.69 0.99 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.528 ' HB2' ' CB ' ' A' ' 12' ' ' TYR . . . -49.91 -22.04 1.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.413 ' N ' ' C ' ' A' ' 109' ' ' LYS . 0.2 OUTLIER -76.77 -53.91 7.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -56.85 -44.95 82.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 111.025 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.598 HG22 HG22 ' A' ' 9' ' ' VAL . 1.5 mt -56.38 -42.03 73.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.428 ' HB2' ' HG2' ' A' ' 26' ' ' PRO . . . -57.93 -76.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.533 ' CD2' ' HA3' ' A' ' 31' ' ' GLY . 0.2 OUTLIER -36.87 -42.12 0.37 Allowed 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.869 -179.913 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.684 HD23 ' HG3' ' A' ' 75' ' ' PRO . 1.8 mp -61.12 -60.99 2.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.921 HD21 ' HB1' ' A' ' 5' ' ' ALA . 55.5 mt -51.15 -33.77 28.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 110.426 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.1 m . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.4 -0.222 . . . . 0.0 110.4 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.584 HD22 ' N ' ' A' ' 4' ' ' ASN . 0.9 OUTLIER -90.8 -56.1 3.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.259 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.517 ' O ' HG23 ' A' ' 9' ' ' VAL . . . -46.27 -39.86 10.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.143 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -65.14 -37.91 88.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.281 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 4' ' ' ASN . 0.0 OUTLIER -60.91 -53.58 55.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.157 . . . . 0.0 109.35 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.534 HD13 ' HE2' ' A' ' 12' ' ' TYR . 5.8 mt -49.29 -51.48 33.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.569 HG21 HD21 ' A' ' 117' ' ' LEU . 87.3 t -54.71 -52.57 40.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 18.5 t80 -72.51 0.65 9.81 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.82 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -105.46 -74.45 0.65 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.82 ' CB ' ' HB2' ' A' ' 110' ' ' ALA . 94.8 m-85 -49.4 -24.64 2.04 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.847 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.459 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 52.3 m -74.66 -47.7 30.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.394 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 53.6 t-20 -58.3 -52.95 63.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.2 mt -52.42 -48.68 45.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.43 -41.5 89.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.487 ' ND1' ' O ' ' A' ' 23' ' ' TYR . 15.9 t60 -67.67 -31.58 71.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.609 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 46.5 t -66.39 -24.43 66.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.99 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.24 -36.27 13.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.288 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.433 ' O ' ' HA ' ' A' ' 17' ' ' HIS . 11.5 t-20 -135.27 118.78 12.98 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.26 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -81.64 40.56 1.0 Allowed 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 124.286 3.324 . . . . 0.0 109.618 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.7 mtt -145.28 37.57 1.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 110.983 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.487 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 55.7 t80 -147.42 120.32 8.73 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.821 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -100.16 -45.86 5.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 110.285 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.681 ' HB1' ' CD ' ' A' ' 26' ' ' PRO . . . -168.36 176.42 1.53 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.085 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.681 ' CD ' ' HB1' ' A' ' 25' ' ' ALA . 17.2 Cg_exo -70.46 179.85 3.76 Favored 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 124.315 3.343 . . . . 0.0 109.606 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -135.49 22.94 3.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.978 -179.881 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.428 ' C ' ' O ' ' A' ' 27' ' ' SER . 16.8 pt 37.43 45.17 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.713 HG22 ' O ' ' A' ' 29' ' ' THR . 3.4 m -162.11 33.52 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.403 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -133.3 -46.75 0.83 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.442 ' O ' ' CB ' ' A' ' 35' ' ' PHE . . . -50.57 -37.6 33.79 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.449 1.093 . . . . 0.0 110.964 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.566 ' HG2' ' CE1' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -51.48 -69.59 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 0.766 . . . . 0.0 109.315 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.409 HG23 ' HD2' ' A' ' 37' ' ' ARG . 29.7 mt -48.55 -57.89 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.558 ' CZ ' ' OE2' ' A' ' 108' ' ' GLU . 20.2 t80 -53.68 -20.57 5.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.96 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.556 ' CE2' ' HD3' ' A' ' 57' ' ' PRO . 85.7 t80 -108.33 5.37 25.46 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 32' ' ' LYS . 3.5 m-80 -142.21 25.59 1.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 39' ' ' PHE . 2.9 tpm_? -107.54 96.7 6.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.334 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.7 ttpt -49.66 94.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.512 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 25.3 p90 -98.91 165.32 11.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.987 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -105.59 143.71 33.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.454 HG23 ' O ' ' A' ' 45' ' ' LYS . 43.3 p -97.88 153.95 38.0 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.359 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.866 ' HG3' ' HA3' ' A' ' 101' ' ' GLY . 72.2 Cg_endo -67.4 -4.54 12.05 Favored 'Trans proline' 0 N--CA 1.448 -1.2 0 C-N-CA 124.275 3.317 . . . . 0.0 109.629 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 p -107.28 31.03 5.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.021 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.403 ' O ' ' CB ' ' A' ' 45' ' ' LYS . . . 46.33 82.81 0.03 OUTLIER Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.5 1.125 . . . . 0.0 110.966 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.454 ' O ' HG23 ' A' ' 41' ' ' THR . 2.6 tttt 170.95 111.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 0.792 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.47 154.2 41.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -163.96 176.98 8.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.512 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -154.68 151.63 28.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.532 ' HB2' ' CD1' ' A' ' 35' ' ' PHE . 56.4 m -64.08 -14.75 56.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 108.328 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.451 ' HA ' ' O ' ' A' ' 54' ' ' THR . . . -100.6 5.2 43.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 84.3 p -74.08 -30.67 62.47 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.431 1.082 . . . . 0.0 110.026 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 57.7 m -116.99 -43.91 2.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 108.284 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.508 ' O ' ' OG1' ' A' ' 54' ' ' THR . 65.8 m-70 -85.7 15.03 5.03 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.754 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.508 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 39.4 p 49.98 174.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 110.353 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.435 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 5.1 p30 -56.16 -25.3 46.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -128.53 122.64 21.86 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.145 . . . . 0.0 109.345 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.888 ' HB3' HD23 ' A' ' 73' ' ' LEU . 55.4 Cg_endo -68.84 -43.78 3.31 Favored 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.322 3.348 . . . . 0.0 109.557 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.44 -18.37 2.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.404 ' N ' ' C ' ' A' ' 57' ' ' PRO . 9.6 t-20 -85.49 -178.83 6.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 25.5 t -85.32 115.76 27.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 70' ' ' ILE . . . -76.91 -164.39 20.27 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.449 1.093 . . . . 0.0 111.007 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.481 ' CG ' ' O ' ' A' ' 68' ' ' LYS . 0.1 OUTLIER -175.54 118.79 0.17 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 0.754 . . . . 0.0 109.331 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.557 ' ND2' HD11 ' A' ' 70' ' ' ILE . 90.3 m-20 -71.02 126.69 30.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 10.8 pt -79.13 1.77 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 94.6 t -79.64 -51.3 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.337 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 70.1 p -108.96 -29.55 8.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.379 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 87.04 44.02 5.8 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.479 1.112 . . . . 0.0 111.012 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.481 ' O ' ' CG ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -98.28 -159.95 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.765 . . . . 0.0 109.307 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.445 ' N ' ' CD ' ' A' ' 69' ' ' GLU . 1.3 pm0 -125.69 105.28 8.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.282 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.557 HD11 ' ND2' ' A' ' 63' ' ' ASN . 2.1 mm -86.72 115.48 62.52 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -47.63 166.08 0.11 Allowed 'Trans proline' 0 N--CA 1.446 -1.27 0 C-N-CA 124.314 3.343 . . . . 0.0 109.589 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_exo -38.86 131.7 1.2 Allowed 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.292 3.328 . . . . 0.0 109.589 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.888 HD23 ' HB3' ' A' ' 57' ' ' PRO . 3.0 tp -83.62 -33.12 25.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.344 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.471 ' HB3' ' HB ' ' A' ' 77' ' ' VAL . . . -39.52 99.81 0.2 Allowed Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.119 . . . . 0.0 109.346 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.626 ' HB3' ' CD1' ' A' ' 82' ' ' PHE . 26.6 Cg_exo -62.14 -11.28 21.24 Favored 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 124.343 3.362 . . . . 0.0 109.59 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.0 ttt180 -96.51 -47.76 5.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.471 ' HB ' ' HB3' ' A' ' 74' ' ' ALA . 9.2 t -48.19 -43.78 12.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.447 ' OD1' HG12 ' A' ' 77' ' ' VAL . 0.3 OUTLIER -97.45 138.47 34.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.148 . . . . 0.0 109.325 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 21.2 p -86.06 -0.15 54.87 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.12 . . . . 0.0 110.434 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.19 47.45 1.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.514 ' CB ' ' HA ' ' A' ' 75' ' ' PRO . 54.4 mmt-85 -136.69 -94.24 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.626 ' CD1' ' HB3' ' A' ' 75' ' ' PRO . 2.0 m-30 -67.3 67.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.429 ' N ' ' O ' ' A' ' 81' ' ' ARG . 90.0 m -98.15 -60.0 1.64 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.098 . . . . 0.0 110.404 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -87.5 122.96 31.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.261 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.741 ' O ' HG23 ' A' ' 85' ' ' ILE . 8.9 tt -102.34 58.13 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.093 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -150.18 -50.96 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -88.44 -1.89 58.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -83.76 -26.82 7.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -72.74 -50.25 25.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.291 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -64.26 -47.88 77.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.43 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 4.5 mm-40 -55.3 -20.36 11.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.285 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.41 ' CD1' ' HE2' ' A' ' 109' ' ' LYS . 0.1 OUTLIER -85.95 -29.89 23.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 110.994 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.513 HG23 ' CG ' ' A' ' 103' ' ' ASP . 0.9 OUTLIER -86.01 -40.16 16.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.378 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.2 mmtp -64.77 -32.06 73.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.493 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.4 t60 -65.62 -59.73 3.65 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.749 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.434 ' C ' ' O ' ' A' ' 102' ' ' ALA . 2.6 m -54.52 -25.04 23.24 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.543 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.469 ' HA ' ' N ' ' A' ' 102' ' ' ALA . 1.7 m-80 -78.18 -15.65 58.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.3 -1.21 15.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.493 HG13 ' CE1' ' A' ' 95' ' ' HIS . 26.7 mm -113.77 -57.03 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.261 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.602 HD12 ' SG ' ' A' ' 104' ' ' CYS . 43.3 mt -91.85 -21.27 20.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.0 109.261 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.866 ' HA3' ' HG3' ' A' ' 42' ' ' PRO . . . 95.87 11.65 54.51 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.53 1.144 . . . . 0.0 111.026 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.469 ' N ' ' HA ' ' A' ' 97' ' ' ASN . . . -162.38 -168.5 1.87 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.513 ' CG ' HG23 ' A' ' 93' ' ' THR . 14.1 t0 -94.87 125.54 39.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.602 ' SG ' HD12 ' A' ' 100' ' ' LEU . 45.7 m -65.02 163.13 15.32 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.613 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.423 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 16.1 t -77.93 150.05 77.72 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 109.981 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 105' ' ' SER . 16.1 Cg_exo -66.75 -12.83 37.51 Favored 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.358 3.372 . . . . 0.0 109.599 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 76.7 p -89.63 -43.14 10.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.979 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.558 ' OE2' ' CZ ' ' A' ' 34' ' ' PHE . 10.2 pt-20 -69.83 -5.68 27.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.589 1.181 . . . . 0.0 110.285 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.429 ' C ' ' N ' ' A' ' 111' ' ' ASN . 8.4 mmtp -96.5 -66.81 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.82 ' HB2' ' CB ' ' A' ' 12' ' ' TYR . . . -43.97 -27.19 0.34 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 0.0 109.328 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.429 ' N ' ' C ' ' A' ' 109' ' ' LYS . 0.3 OUTLIER -73.77 -54.8 7.23 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.444 ' CE2' HD22 ' A' ' 116' ' ' LEU . 39.3 t80 -54.51 -45.85 73.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.105 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.434 ' O ' HD23 ' A' ' 117' ' ' LEU . 1.6 mt -53.58 -39.88 39.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 117' ' ' LEU . . . -64.14 -64.99 0.74 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.566 ' CE1' ' HG2' ' A' ' 32' ' ' LYS . 1.3 t80 -45.81 -37.41 6.07 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.975 -1.011 . . . . 0.0 109.822 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.444 HD22 ' CE2' ' A' ' 112' ' ' PHE . 0.9 OUTLIER -68.98 -37.05 78.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.897 ' O ' HD12 ' A' ' 117' ' ' LEU . 1.1 pp -93.12 24.14 3.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.3 m . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.392 179.987 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.454 HG22 ' O ' ' A' ' 3' ' ' THR . 53.6 m . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.814 ' HB3' HD12 ' A' ' 85' ' ' ILE . 1.5 m-80 -118.72 -65.83 1.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.25 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.787 ' O ' HG23 ' A' ' 9' ' ' VAL . . . -39.33 -43.47 1.17 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.573 1.171 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -53.81 -48.67 69.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 4' ' ' ASN . 0.0 OUTLIER -59.12 -52.57 65.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.693 ' HG ' HD11 ' A' ' 85' ' ' ILE . 12.5 mt -49.5 -45.16 46.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.865 HG21 HD21 ' A' ' 117' ' ' LEU . 49.0 t -62.93 -53.01 52.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.34 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -66.17 -10.34 40.37 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.833 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 7' ' ' LYS . 0.5 OUTLIER -94.61 -73.71 0.57 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.812 ' CB ' ' HB2' ' A' ' 110' ' ' ALA . 55.8 m-85 -48.02 -24.61 1.12 Allowed 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.831 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.442 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 40.8 m -76.08 -49.36 17.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 110.435 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -61.16 -54.46 44.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.6 mt -46.75 -48.19 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.05 -54.6 44.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.418 ' HA ' ' O ' ' A' ' 20' ' ' ASN . 78.2 t60 -57.54 -30.43 65.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.586 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.2 t -70.94 -18.98 62.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.948 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -96.54 -39.95 9.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.357 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.418 ' O ' ' HA ' ' A' ' 17' ' ' HIS . 0.4 OUTLIER -140.95 125.19 10.47 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.27 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -68.89 -4.06 12.66 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.284 3.323 . . . . 0.0 109.569 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 3.5 mmt -79.21 -43.79 23.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.469 ' CE1' ' HB2' ' A' ' 107' ' ' SER . 23.4 t80 -79.2 126.55 30.9 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.85 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -123.5 -44.58 2.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.489 ' HB1' ' HD2' ' A' ' 26' ' ' PRO . . . -161.84 156.54 19.53 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.489 ' HD2' ' HB1' ' A' ' 25' ' ' ALA . 31.0 Cg_endo -64.55 178.03 1.9 Allowed 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.284 3.322 . . . . 0.0 109.592 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.5 16.82 1.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.044 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.402 ' O ' ' OG1' ' A' ' 29' ' ' THR . 36.1 pt 42.52 54.1 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.733 HG22 ' O ' ' A' ' 29' ' ' THR . 3.2 m -163.08 38.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 110.389 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -144.61 -47.22 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' A' ' 35' ' ' PHE . . . -48.96 -54.68 13.52 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.45 1.094 . . . . 0.0 111.03 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.564 ' HB3' ' CE2' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -45.04 -73.1 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 0.76 . . . . 0.0 109.304 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.3 mt -46.99 -53.13 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -57.0 -17.67 10.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.99 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.472 ' N ' ' O ' ' A' ' 31' ' ' GLY . 81.3 t80 -106.93 11.12 30.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 0.0 110.984 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -143.0 23.42 1.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -104.2 108.94 20.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.331 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.1 ttmm -63.83 96.7 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.486 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 25.2 p90 -100.01 163.69 12.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.1 tttp -105.41 140.62 38.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.459 HG23 ' O ' ' A' ' 45' ' ' LYS . 39.0 p -93.87 153.13 41.01 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.132 . . . . 0.0 110.384 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.751 ' HG3' ' HA3' ' A' ' 101' ' ' GLY . 88.1 Cg_endo -68.39 -2.78 9.71 Favored 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.377 3.385 . . . . 0.0 109.609 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 p -106.59 22.41 15.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.985 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 54.63 81.68 0.06 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.512 1.133 . . . . 0.0 111.006 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.459 ' O ' HG23 ' A' ' 41' ' ' THR . 3.7 tttt 171.43 108.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 0.782 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.56 153.32 39.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -163.98 177.47 8.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.486 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -155.53 152.79 29.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.442 ' CB ' ' CD1' ' A' ' 35' ' ' PHE . 62.3 m -65.18 -13.15 57.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 108.295 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.436 ' O ' ' HA ' ' A' ' 54' ' ' THR . . . -102.19 6.11 40.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 88.2 p -77.2 -28.8 54.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 110.019 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 86.1 m -117.71 -44.8 2.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 108.284 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.516 ' O ' ' OG1' ' A' ' 54' ' ' THR . 86.6 m-70 -86.69 14.59 6.78 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.785 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.516 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 40.6 p 50.18 172.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.369 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.431 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 11.2 p30 -53.67 -24.37 14.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -132.49 129.38 21.43 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.433 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 86.0 Cg_endo -73.42 -43.09 0.73 Allowed 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.295 3.33 . . . . 0.0 109.591 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.616 ' HA ' ' HB2' ' A' ' 74' ' ' ALA . . . -54.85 -18.14 4.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 109.351 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -89.85 172.83 8.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 40.8 t -70.49 135.74 27.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.132 . . . . 0.0 109.246 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -110.4 -174.8 20.56 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.46 1.1 . . . . 0.0 110.999 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.5 tttt -166.31 135.0 2.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.769 . . . . 0.0 109.292 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.637 ' ND2' HD11 ' A' ' 70' ' ' ILE . 76.4 m-20 -94.12 134.44 36.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.5 pt -84.75 13.1 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.328 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 78.5 t -88.85 -60.03 2.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.2 p -113.43 -28.03 7.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 110.391 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 83.51 53.03 3.53 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.501 1.125 . . . . 0.0 110.999 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.516 ' O ' ' C ' ' A' ' 69' ' ' GLU . 7.6 ttmt -111.28 98.77 7.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.516 ' C ' ' O ' ' A' ' 68' ' ' LYS . 1.2 pm0 -28.87 100.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.431 1.082 . . . . 0.0 110.356 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.637 HD11 ' ND2' ' A' ' 63' ' ' ASN . 3.7 mm -77.54 134.13 66.32 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.271 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.517 ' HD2' HG23 ' A' ' 70' ' ' ILE . 60.0 Cg_endo -71.61 150.75 57.52 Favored 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.332 3.354 . . . . 0.0 109.553 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.41 ' C ' ' O ' ' A' ' 71' ' ' PRO . 72.4 Cg_exo -32.75 137.75 0.06 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.339 3.359 . . . . 0.0 109.565 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 1.026 HD12 ' O ' ' A' ' 73' ' ' LEU . 0.2 OUTLIER -93.22 -28.27 16.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.616 ' HB2' ' HA ' ' A' ' 58' ' ' ALA . . . -34.66 96.9 0.11 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.62 ' CG ' HD13 ' A' ' 116' ' ' LEU . 16.6 Cg_exo -67.22 53.4 0.46 Allowed 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.342 3.361 . . . . 0.0 109.607 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.408 ' N ' ' O ' ' A' ' 74' ' ' ALA . 9.7 ttm180 -168.7 -51.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 110.29 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.596 HG12 ' OD1' ' A' ' 78' ' ' ASN . 38.4 t -46.32 -41.02 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.596 ' OD1' HG12 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -111.39 142.07 44.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -78.97 -6.5 56.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 110.367 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.44 ' O ' ' NH1' ' A' ' 81' ' ' ARG . 0.4 OUTLIER -97.72 45.5 1.03 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.452 ' NH2' ' HG2' ' A' ' 71' ' ' PRO . 17.9 mmt-85 -141.89 162.6 35.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 110.309 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.586 ' CG ' ' HB3' ' A' ' 75' ' ' PRO . 3.1 m-30 39.62 67.84 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.95 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 10.7 m -89.8 -67.52 0.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.361 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -81.75 92.39 6.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.252 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.814 HD12 ' HB3' ' A' ' 4' ' ' ASN . 8.8 tt -72.14 -4.71 5.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.348 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -97.55 -21.03 17.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 90' ' ' ASP . 5.2 ttmt -102.05 -50.57 3.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.362 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -43.92 -26.91 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.421 ' N ' ' C ' ' A' ' 87' ' ' LYS . 2.2 tm-20 -70.46 -46.73 63.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 0.0 110.311 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 87' ' ' LYS . 23.0 m-20 -70.88 -46.44 62.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -54.79 -18.72 5.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.115 . . . . 0.0 110.291 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.608 ' CD1' ' HD2' ' A' ' 109' ' ' LYS . 0.2 OUTLIER -81.15 -24.52 37.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.998 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -89.35 -29.95 18.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.4 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.6 -33.78 53.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.342 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.586 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.4 t60 -66.0 -59.25 4.0 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 114.99 -1.004 . . . . 0.0 109.759 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.419 ' C ' ' O ' ' A' ' 102' ' ' ALA . 11.9 m -56.35 -23.66 38.93 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.568 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.45 ' HA ' ' N ' ' A' ' 102' ' ' ALA . 1.7 m-80 -82.24 -12.29 58.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -117.9 5.92 12.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.586 HG13 ' CE1' ' A' ' 95' ' ' HIS . 25.0 mm -122.57 -51.42 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.761 HD12 ' SG ' ' A' ' 104' ' ' CYS . 74.6 mt -97.19 -29.21 13.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.751 ' HA3' ' HG3' ' A' ' 42' ' ' PRO . . . 106.86 9.79 29.66 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.483 1.115 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.45 ' N ' ' HA ' ' A' ' 97' ' ' ASN . . . -168.21 -173.89 2.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 0.778 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -85.46 125.34 32.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.761 ' SG ' HD12 ' A' ' 100' ' ' LEU . 57.3 m -61.04 161.31 8.62 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.599 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.472 ' HB2' ' CG ' ' A' ' 108' ' ' GLU . 4.5 m -68.79 144.5 96.02 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.035 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -63.61 -21.46 70.32 Favored 'Trans proline' 0 N--CA 1.446 -1.283 0 C-N-CA 124.334 3.356 . . . . 0.0 109.599 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.469 ' HB2' ' CE1' ' A' ' 23' ' ' TYR . 72.0 p -85.79 -36.74 19.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.986 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.472 ' CG ' ' HB2' ' A' ' 105' ' ' SER . 4.5 mm-40 -70.5 -9.95 57.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.312 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.608 ' HD2' ' CD1' ' A' ' 92' ' ' PHE . 2.4 tppt? -90.66 -65.38 1.02 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.261 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.812 ' HB2' ' CB ' ' A' ' 12' ' ' TYR . . . -49.55 -22.05 1.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.269 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.415 ' N ' ' C ' ' A' ' 109' ' ' LYS . 0.2 OUTLIER -80.0 -51.3 9.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.419 ' CZ ' HD11 ' A' ' 116' ' ' LEU . 40.7 t80 -58.07 -46.12 85.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 110.972 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.687 HG22 HG22 ' A' ' 9' ' ' VAL . 1.4 mt -57.52 -38.22 62.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.82 -62.79 1.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.564 ' CE2' ' HB3' ' A' ' 32' ' ' LYS . 1.1 t80 -50.37 -31.59 15.15 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.852 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.62 HD13 ' CG ' ' A' ' 75' ' ' PRO . 10.5 mt -71.8 -40.02 69.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.865 HD21 HG21 ' A' ' 9' ' ' VAL . 1.7 pp -91.17 20.75 4.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 27.4 m . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.396 -179.974 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.73 ' C ' HG23 ' A' ' 2' ' ' VAL . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.73 HG23 ' C ' ' A' ' 1' ' ' ASP . 3.0 t 87.08 -41.47 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 2' ' ' VAL . 19.2 m -37.72 -44.96 0.76 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.368 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.516 ' N ' ' ND2' ' A' ' 4' ' ' ASN . 0.4 OUTLIER -77.82 -48.36 16.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.255 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.425 ' HB3' ' HA ' ' A' ' 2' ' ' VAL . . . -49.67 -48.78 49.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -64.53 -34.21 77.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -63.93 -49.68 71.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.8 mt -51.86 -51.94 53.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.722 HG21 HD21 ' A' ' 117' ' ' LEU . 95.7 t -53.49 -51.56 40.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -71.54 -6.98 44.68 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.838 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 7' ' ' LYS . 4.8 tppt? -96.28 -71.76 0.66 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.638 ' HB2' ' HB2' ' A' ' 110' ' ' ALA . 85.5 m-85 -50.67 -23.55 2.71 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.801 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.497 ' CG2' ' O ' ' A' ' 24' ' ' GLU . 18.7 m -74.36 -42.42 59.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.396 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -65.3 -52.53 53.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.343 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.7 mt -51.38 -51.32 24.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.99 -56.2 22.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.232 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -54.23 -33.21 57.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.622 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 39.5 t -70.81 -16.49 62.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.006 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -105.34 -37.59 6.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -136.49 94.1 13.84 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_exo -46.93 -22.76 2.16 Favored 'Trans proline' 0 N--CA 1.446 -1.265 0 C-N-CA 124.336 3.358 . . . . 0.0 109.593 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -65.51 -44.28 87.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -75.32 119.02 18.86 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.023 -0.99 . . . . 0.0 109.805 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.497 ' O ' ' CG2' ' A' ' 13' ' ' THR . 1.7 mt-10 -118.84 -44.53 2.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.553 ' HB1' ' HD2' ' A' ' 26' ' ' PRO . . . -132.8 164.94 40.2 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.553 ' HD2' ' HB1' ' A' ' 25' ' ' ALA . 65.5 Cg_endo -91.33 -169.15 0.28 Allowed 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.329 3.353 . . . . 0.0 109.626 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 40.5 t -151.07 172.98 14.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.973 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.513 ' O ' ' CE2' ' A' ' 115' ' ' TYR . 7.7 pt -121.66 29.99 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.262 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.46 HG22 ' O ' ' A' ' 29' ' ' THR . 20.8 m -132.64 6.38 4.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.411 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.447 ' CB ' ' OD1' ' A' ' 111' ' ' ASN . 1.0 OUTLIER -112.59 -25.59 9.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.794 ' N ' HD21 ' A' ' 111' ' ' ASN . . . -79.68 54.66 4.41 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.436 1.085 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.21 -66.55 0.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 0.729 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.455 ' CG2' ' HD3' ' A' ' 37' ' ' ARG . 33.7 mt -59.99 -50.57 79.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -53.97 -21.64 8.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.538 ' CD1' ' HB2' ' A' ' 49' ' ' CYS . 86.4 t80 -109.08 6.04 24.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.467 1.104 . . . . 0.0 110.99 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.404 ' OD1' ' O ' ' A' ' 35' ' ' PHE . 76.4 m-20 -140.21 22.62 2.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.455 ' HD3' ' CG2' ' A' ' 33' ' ' ILE . 1.5 ttp85 -105.15 104.11 13.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.286 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -56.42 96.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.528 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 25.9 p90 -100.02 164.45 11.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.87 147.48 28.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.401 ' HB ' ' HD2' ' A' ' 42' ' ' PRO . 33.5 p -103.19 153.99 37.99 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.381 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.791 ' HG3' ' HA3' ' A' ' 101' ' ' GLY . 68.9 Cg_endo -65.51 -6.1 12.92 Favored 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 124.328 3.352 . . . . 0.0 109.594 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 p -104.26 34.82 2.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.998 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 43.0 80.96 0.04 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.54 1.15 . . . . 0.0 110.98 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.4 ' O ' HG23 ' A' ' 41' ' ' THR . 1.7 tttp 172.49 124.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.467 0.746 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.34 154.11 27.97 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.143 . . . . 0.0 110.263 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -163.5 176.76 9.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.528 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -155.38 152.56 29.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.538 ' HB2' ' CD1' ' A' ' 35' ' ' PHE . 57.8 m -65.29 -12.62 53.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 108.294 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.442 ' HB1' ' HA ' ' A' ' 55' ' ' ASN . . . -102.49 6.13 39.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.342 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.493 ' OG ' ' CMC' ' A' ' 125' ' ' HEC . 94.8 p -76.33 -29.69 57.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.944 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 71.4 m -118.1 -45.44 2.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 108.25 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.518 ' O ' ' OG1' ' A' ' 54' ' ' THR . 77.4 m-70 -84.69 14.57 4.55 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.063 -0.971 . . . . 0.0 109.721 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.518 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 49.4 p 50.27 172.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.417 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.442 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 8.6 p30 -53.31 -24.87 12.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -131.05 125.13 20.99 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.242 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.526 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 60.9 Cg_endo -70.48 -41.2 3.53 Favored 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.302 3.335 . . . . 0.0 109.587 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.43 -16.97 6.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -88.69 176.37 7.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.557 HG22 ' HD3' ' A' ' 72' ' ' PRO . 53.7 t -79.54 120.67 31.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.508 ' HA2' HG23 ' A' ' 54' ' ' THR . . . -84.08 -168.52 44.03 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.485 1.115 . . . . 0.0 110.977 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.14 120.69 0.98 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 0.779 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.931 ' ND2' HD11 ' A' ' 70' ' ' ILE . 84.5 m-20 -76.83 129.75 36.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.107 . . . . 0.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 6.4 pt -85.69 9.05 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.344 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 53.6 t -91.28 -55.46 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 68.2 p -107.42 -33.29 7.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 110.384 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 77.82 36.84 31.45 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.433 1.083 . . . . 0.0 110.984 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -81.97 -94.44 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 0.756 . . . . 0.0 109.26 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -177.99 123.13 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.355 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.931 HD11 ' ND2' ' A' ' 63' ' ' ASN . 1.8 mm -112.81 97.88 42.99 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.422 ' HB3' ' HD2' ' A' ' 72' ' ' PRO . 86.9 Cg_exo -48.94 167.83 0.12 Allowed 'Trans proline' 0 N--CA 1.448 -1.193 0 C-N-CA 124.315 3.343 . . . . 0.0 109.578 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.557 ' HD3' HG22 ' A' ' 60' ' ' VAL . 68.7 Cg_exo -37.76 131.46 0.77 Allowed 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.282 3.322 . . . . 0.0 109.633 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 75' ' ' PRO . 4.1 tp -87.84 -31.01 19.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.648 ' HB3' ' HB ' ' A' ' 77' ' ' VAL . . . -37.89 98.42 0.16 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.601 ' HB3' ' CD1' ' A' ' 82' ' ' PHE . 26.2 Cg_exo -62.85 -18.25 63.72 Favored 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 124.316 3.344 . . . . 0.0 109.61 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -94.01 -40.57 10.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.648 ' HB ' ' HB3' ' A' ' 74' ' ' ALA . 41.2 t -59.96 -39.99 81.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.447 ' N ' ' OD1' ' A' ' 78' ' ' ASN . 0.4 OUTLIER -93.92 134.65 36.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 19.3 p -82.25 -7.13 59.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.378 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.82 43.72 1.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.352 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.499 ' CB ' ' HA ' ' A' ' 75' ' ' PRO . 50.6 mmt-85 -145.25 172.27 13.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.601 ' CD1' ' HB3' ' A' ' 75' ' ' PRO . 1.6 m-30 36.44 64.76 0.51 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 110.987 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 24.5 m -101.51 -64.26 1.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.39 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -79.38 149.06 31.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 109.329 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.479 ' CG1' ' HB3' ' A' ' 4' ' ' ASN . 2.8 mp -107.84 -45.95 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -45.62 -67.77 0.25 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.441 1.088 . . . . 0.0 109.324 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.448 ' C ' ' N ' ' A' ' 89' ' ' GLU . 0.2 OUTLIER -52.84 -63.88 1.0 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.257 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 87' ' ' LYS . 1.2 t -40.15 -30.13 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.448 ' N ' ' C ' ' A' ' 87' ' ' LYS . 5.4 tt0 -80.01 53.65 1.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.339 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 30.1 t0 178.39 -50.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 4.2 mm-40 -54.34 -20.63 7.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.307 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.667 ' CZ ' HMA2 ' A' ' 125' ' ' HEC . 0.1 OUTLIER -81.85 -30.91 31.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 111.008 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.1 m -84.55 -36.37 22.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.43 1.081 . . . . 0.0 110.404 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.3 mmpt? -68.16 -31.98 71.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.578 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.3 t60 -64.9 -58.68 5.51 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.766 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.414 ' C ' ' O ' ' A' ' 102' ' ' ALA . 4.5 m -55.91 -22.79 27.78 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.603 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.434 ' HA ' ' N ' ' A' ' 102' ' ' ALA . 1.9 m-80 -83.16 -13.19 56.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.67 6.35 13.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.578 HG13 ' CE1' ' A' ' 95' ' ' HIS . 19.8 mm -121.71 -51.63 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.689 HD12 ' SG ' ' A' ' 104' ' ' CYS . 78.3 mt -97.62 -29.04 13.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.791 ' HA3' ' HG3' ' A' ' 42' ' ' PRO . . . 105.96 12.02 26.83 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.555 1.159 . . . . 0.0 110.985 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.434 ' N ' ' HA ' ' A' ' 97' ' ' ASN . . . -168.17 -173.17 1.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 0.749 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -87.64 125.94 34.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.689 ' SG ' HD12 ' A' ' 100' ' ' LEU . 58.3 m -63.14 160.24 15.8 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.605 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.478 ' HB2' ' CG ' ' A' ' 108' ' ' GLU . 1.9 m -67.85 149.19 98.34 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.992 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -65.97 -23.49 54.16 Favored 'Trans proline' 0 N--CA 1.446 -1.269 0 C-N-CA 124.334 3.356 . . . . 0.0 109.63 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.83 -8.53 51.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.993 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.478 ' CG ' ' HB2' ' A' ' 105' ' ' SER . 3.9 mm-40 -94.65 -13.89 25.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.293 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.578 ' HD2' ' CD1' ' A' ' 92' ' ' PHE . 2.6 tppt? -86.59 -59.3 2.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.638 ' HB2' ' HB2' ' A' ' 12' ' ' TYR . . . -52.18 -24.71 7.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.794 HD21 ' N ' ' A' ' 31' ' ' GLY . 0.8 OUTLIER -71.62 -54.87 9.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.684 ' CE2' HD11 ' A' ' 116' ' ' LEU . 45.9 t80 -59.51 -45.57 91.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 111.042 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.701 ' O ' HD23 ' A' ' 117' ' ' LEU . 1.7 mt -55.59 -35.96 40.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -65.02 -66.78 0.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.513 ' CE2' ' O ' ' A' ' 28' ' ' ILE . 0.2 OUTLIER -50.56 -34.4 25.52 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.814 -179.93 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.684 HD11 ' CE2' ' A' ' 112' ' ' PHE . 7.6 mt -70.54 -36.92 73.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.874 ' O ' HD12 ' A' ' 117' ' ' LEU . 1.7 pp -96.8 28.39 3.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 6.9 m -127.49 -67.61 0.82 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.379 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -73.87 124.31 25.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.336 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.436 ' HB ' HG22 ' A' ' 77' ' ' VAL . 28.4 p -139.05 41.78 2.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.386 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -133.21 100.72 13.93 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.535 1.147 . . . . 0.0 109.258 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -78.69 167.3 22.67 Favored 'Trans proline' 0 N--CA 1.447 -1.251 0 C-N-CA 124.273 3.316 . . . . 0.0 109.575 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 26.5 m -74.74 -68.41 0.54 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.38 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 62.7 mttt . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.352 -179.979 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' HEC . . . . . 0.667 HMA2 ' CZ ' ' A' ' 92' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.718 ' O ' HG13 ' A' ' 2' ' ' VAL . 3.3 p -145.91 49.1 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 48.6 m -61.81 -12.7 18.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.436 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.542 ' N ' ' ND2' ' A' ' 4' ' ' ASN . 0.3 OUTLIER -78.45 -47.76 16.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.594 ' HB1' HD22 ' A' ' 117' ' ' LEU . . . -44.19 -46.87 9.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -60.54 -47.56 85.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -59.08 -46.68 87.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.261 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.616 HD11 HG21 ' A' ' 88' ' ' VAL . 8.6 mt -53.27 -52.18 59.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.78 HG21 HD21 ' A' ' 117' ' ' LEU . 75.4 t -56.11 -49.36 76.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.092 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -74.32 -3.01 27.66 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.778 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 7' ' ' LYS . 3.4 mmmt -100.2 -72.79 0.66 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.756 ' HB2' ' HB2' ' A' ' 110' ' ' ALA . 87.3 m-85 -50.23 -22.84 1.91 Allowed 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.834 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.425 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 19.6 m -74.95 -42.59 57.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.431 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -64.44 -51.1 64.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.1 mt -52.9 -46.32 52.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.53 -50.79 72.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -58.14 -31.88 67.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.09 . . . . 0.0 109.604 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.2 t -72.02 -17.37 62.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 0.0 109.976 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -104.37 -35.92 7.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -137.42 93.4 12.79 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo -47.89 -22.11 3.1 Favored 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.305 3.336 . . . . 0.0 109.573 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -66.87 -43.05 84.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 111.045 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -75.45 117.27 17.06 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 114.944 -1.026 . . . . 0.0 109.808 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -117.09 -43.6 2.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.11 . . . . 0.0 110.273 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.554 ' HB1' ' HD2' ' A' ' 26' ' ' PRO . . . -132.06 168.03 19.53 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.346 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.554 ' HD2' ' HB1' ' A' ' 25' ' ' ALA . 89.1 Cg_endo -93.26 175.31 1.6 Allowed 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 124.318 3.345 . . . . 0.0 109.574 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.28 135.58 37.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.996 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.784 HG22 ' O ' ' A' ' 28' ' ' ILE . 3.7 mt -92.6 38.16 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.552 HG22 ' O ' ' A' ' 29' ' ' THR . 49.5 m -148.47 34.68 0.79 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 110.36 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -137.23 -49.94 0.62 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.467 ' O ' ' CB ' ' A' ' 35' ' ' PHE . . . -39.08 -37.54 0.67 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.517 1.136 . . . . 0.0 111.063 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.516 ' HG2' ' CZ ' ' A' ' 115' ' ' TYR . 0.4 OUTLIER -51.98 -72.16 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 0.723 . . . . 0.0 109.26 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 15.7 mt -46.84 -57.01 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -54.88 -17.77 4.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.132 . . . . 0.0 111.008 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.559 ' CD1' ' HB2' ' A' ' 49' ' ' CYS . 87.5 t80 -111.62 3.88 18.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 32' ' ' LYS . 67.4 m-20 -139.97 24.06 2.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.344 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -104.28 98.46 8.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.132 . . . . 0.0 110.271 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -51.66 94.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.574 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 25.9 p90 -100.15 162.88 12.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 110.97 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.9 mttt -107.11 145.64 32.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.095 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.457 HG23 ' O ' ' A' ' 45' ' ' LYS . 28.7 p -100.14 153.25 37.86 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.423 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.75 ' HG3' ' HA3' ' A' ' 101' ' ' GLY . 60.9 Cg_endo -64.6 -8.21 16.71 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.276 3.317 . . . . 0.0 109.623 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.6 p -101.94 33.68 2.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.029 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 42.07 77.41 0.08 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.509 1.131 . . . . 0.0 111.042 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.457 ' O ' HG23 ' A' ' 41' ' ' THR . 0.1 OUTLIER 178.68 112.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 0.779 . . . . 0.0 109.255 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -69.22 152.74 44.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 110.312 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -163.8 177.52 8.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.574 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -158.07 156.49 31.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.559 ' HB2' ' CD1' ' A' ' 35' ' ' PHE . 34.8 m -70.76 -8.26 51.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 108.297 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.438 ' HA ' ' O ' ' A' ' 54' ' ' THR . . . -106.53 4.05 27.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.404 ' HB2' ' O ' ' A' ' 48' ' ' ALA . 0.3 OUTLIER -83.54 -18.43 38.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.117 . . . . 0.0 110.021 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 53.9 m -124.22 -45.2 1.98 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 108.302 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.509 ' O ' ' OG1' ' A' ' 54' ' ' THR . 73.8 m-70 -92.36 17.37 9.94 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.741 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.541 HG23 ' HA2' ' A' ' 61' ' ' GLY . 71.7 p 50.26 170.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 110.411 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.408 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 13.6 p30 -54.35 -20.09 6.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -133.13 124.27 18.34 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.466 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 66.6 Cg_endo -71.12 -47.17 0.57 Allowed 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 124.327 3.352 . . . . 0.0 109.61 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.28 -19.08 2.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.358 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.401 ' N ' ' C ' ' A' ' 57' ' ' PRO . 12.5 t-20 -86.55 173.69 9.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 78.6 t -74.69 122.14 27.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.541 ' HA2' HG23 ' A' ' 54' ' ' THR . . . -92.75 -177.58 41.06 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.528 1.142 . . . . 0.0 111.041 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 59.8 tttt -159.85 133.34 7.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 0.754 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.903 ' ND2' HD11 ' A' ' 70' ' ' ILE . 92.0 m-20 -83.98 130.88 34.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.347 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 7.1 pt -85.16 7.2 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 57.8 t -88.81 -54.81 7.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 70.0 p -107.4 -34.4 7.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.398 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 81.51 33.25 28.59 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.555 1.159 . . . . 0.0 111.035 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.6 mmtp -79.08 -94.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 0.775 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -179.47 123.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.903 HD11 ' ND2' ' A' ' 63' ' ' ASN . 2.6 mm -112.34 99.28 46.25 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.348 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.407 ' HB3' ' HD2' ' A' ' 72' ' ' PRO . 85.7 Cg_exo -49.0 167.08 0.14 Allowed 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.304 3.336 . . . . 0.0 109.601 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.407 ' HD2' ' HB3' ' A' ' 71' ' ' PRO . 64.9 Cg_exo -37.18 132.05 0.52 Allowed 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.287 3.325 . . . . 0.0 109.615 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 74' ' ' ALA . 6.3 tp -86.91 -28.83 22.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.511 ' HB3' ' HB ' ' A' ' 77' ' ' VAL . . . -39.28 113.41 0.82 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.491 ' HA ' ' CB ' ' A' ' 81' ' ' ARG . 54.3 Cg_endo -72.8 -4.11 14.78 Favored 'Trans proline' 0 N--CA 1.448 -1.168 0 C-N-CA 124.281 3.321 . . . . 0.0 109.567 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.4 ttt180 -106.34 -51.77 2.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.311 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.747 HG23 ' HB ' ' A' ' 120' ' ' THR . 7.6 t -45.72 -42.82 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.443 ' N ' ' OD1' ' A' ' 78' ' ' ASN . 0.4 OUTLIER -95.63 141.44 29.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.536 1.148 . . . . 0.0 109.272 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.7 p -89.23 1.25 55.97 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 110.41 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.18 46.11 1.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.491 ' CB ' ' HA ' ' A' ' 75' ' ' PRO . 60.3 mmt-85 -143.26 168.74 19.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.28 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.475 ' CG ' ' HB2' ' A' ' 75' ' ' PRO . 2.7 m-30 36.6 62.78 0.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.949 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.705 HG22 ' O ' ' A' ' 83' ' ' THR . 3.4 m -124.94 44.63 2.74 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 110.392 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.435 ' C ' ' N ' ' A' ' 86' ' ' ASP . 44.8 t0 -174.86 79.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 6.1 mt -41.12 -28.96 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.34 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.435 ' N ' ' C ' ' A' ' 84' ' ' ASP . 15.2 m-20 -66.53 -68.63 0.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 88' ' ' VAL . 3.1 ttmm -41.08 -47.09 3.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.616 HG21 HD11 ' A' ' 8' ' ' LEU . 2.1 t -38.06 -58.27 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.46 80.53 6.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 110.278 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.0 t70 176.69 -66.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 0.0 109.303 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.484 ' HG3' ' N ' ' A' ' 92' ' ' PHE . 9.4 pt-20 -64.86 -38.46 91.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.672 ' CZ ' ' CMA' ' A' ' 125' ' ' HEC . 0.1 OUTLIER -59.57 -26.66 65.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 111.01 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.496 HG23 ' CG ' ' A' ' 103' ' ' ASP . 1.3 m -87.79 -41.31 13.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.385 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.68 -29.83 69.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.529 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.4 t60 -66.68 -58.83 4.33 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.791 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.419 ' C ' ' O ' ' A' ' 102' ' ' ALA . 12.5 m -57.27 -24.1 52.61 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.579 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.418 ' HA ' ' N ' ' A' ' 102' ' ' ALA . 2.0 m-80 -82.74 -12.4 57.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.264 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.67 8.28 11.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.529 HG13 ' CE1' ' A' ' 95' ' ' HIS . 20.0 mm -124.49 -43.13 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.469 HD12 ' SG ' ' A' ' 104' ' ' CYS . 56.5 mt -106.82 -31.57 8.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.75 ' HA3' ' HG3' ' A' ' 42' ' ' PRO . . . 108.43 11.71 22.97 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.523 1.139 . . . . 0.0 111.039 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 96' ' ' CYS . . . -166.35 -173.89 2.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 0.785 . . . . 0.0 109.341 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.496 ' CG ' HG23 ' A' ' 93' ' ' THR . 14.0 t0 -89.67 126.03 35.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.469 ' SG ' HD12 ' A' ' 100' ' ' LEU . 56.2 m -62.12 160.9 11.87 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.613 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 23.3 t -74.77 142.99 77.65 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.989 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -59.12 -17.7 39.95 Favored 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.337 3.358 . . . . 0.0 109.593 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 60.4 p -86.17 -42.14 14.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.013 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -68.36 -11.84 60.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.575 ' HD2' ' CD1' ' A' ' 92' ' ' PHE . 2.7 tppp? -87.21 -62.95 1.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.756 ' HB2' ' HB2' ' A' ' 12' ' ' TYR . . . -51.96 -20.91 2.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -76.37 -49.95 15.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -62.92 -44.9 94.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.59 ' O ' HD23 ' A' ' 117' ' ' LEU . 1.5 mt -53.66 -38.64 35.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -66.02 -62.77 1.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.516 ' CZ ' ' HG2' ' A' ' 32' ' ' LYS . 1.1 t80 -48.67 -32.5 8.44 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.809 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.718 ' O ' HG22 ' A' ' 120' ' ' THR . 1.0 OUTLIER -74.45 -42.29 59.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.89 ' O ' HD12 ' A' ' 117' ' ' LEU . 1.6 pp -91.98 33.32 1.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.581 1.176 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.442 HG21 HG21 ' A' ' 28' ' ' ILE . 57.0 m -141.62 -68.02 0.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.356 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -89.09 66.8 7.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.306 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.747 ' HB ' HG23 ' A' ' 77' ' ' VAL . 69.8 p -92.18 66.83 4.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.435 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.04 148.98 9.92 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -80.67 166.49 19.52 Favored 'Trans proline' 0 N--CA 1.447 -1.255 0 C-N-CA 124.291 3.327 . . . . 0.0 109.593 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 2.7 m -76.78 -47.02 22.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.431 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' HEC . . . . . 0.672 ' CMA' ' CZ ' ' A' ' 92' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.75 ' C ' HG23 ' A' ' 2' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.75 HG23 ' C ' ' A' ' 1' ' ' ASP . 3.1 t 87.35 -21.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 23.5 m -47.98 -33.75 8.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.401 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.521 ' N ' ' ND2' ' A' ' 4' ' ' ASN . 0.4 OUTLIER -76.74 -47.3 22.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.418 1.074 . . . . 0.0 109.256 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.798 ' O ' HG23 ' A' ' 9' ' ' VAL . . . -54.57 -44.45 72.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -65.17 -36.64 84.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.264 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -52.21 64.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.714 HD21 HG23 ' A' ' 85' ' ' ILE . 5.0 mt -51.1 -49.67 60.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.337 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.798 HG23 ' O ' ' A' ' 5' ' ' ALA . 42.2 t -53.17 -51.69 37.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -72.81 -4.71 33.31 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.843 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -97.9 -72.72 0.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.794 ' HB2' ' HB2' ' A' ' 110' ' ' ALA . 93.9 m-85 -50.61 -22.7 2.14 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 114.997 -1.002 . . . . 0.0 109.889 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.427 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 8.8 m -72.3 -40.77 67.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.165 . . . . 0.0 110.425 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.92 -52.94 53.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.9 mt -51.58 -48.84 35.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.76 -58.11 8.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.411 ' HA ' ' O ' ' A' ' 20' ' ' ASN . 70.0 t60 -58.13 -31.02 66.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.602 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 47.9 t -70.64 -14.66 62.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.971 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -100.85 -42.75 6.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.411 ' O ' ' HA ' ' A' ' 17' ' ' HIS . 6.6 m120 -141.25 128.69 11.9 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -67.18 -6.51 16.35 Favored 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.345 3.363 . . . . 0.0 109.624 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.8 mmt -75.19 -45.28 41.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 110.986 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -78.98 123.42 27.27 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.816 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -120.53 -45.41 2.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.11 . . . . 0.0 110.331 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.646 ' HB1' ' CD ' ' A' ' 26' ' ' PRO . . . -133.89 175.25 3.82 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.646 ' CD ' ' HB1' ' A' ' 25' ' ' ALA . 6.7 Cg_exo -75.25 -167.45 0.43 Allowed 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.308 3.339 . . . . 0.0 109.57 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 32.3 t -160.09 160.78 33.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.018 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 7.3 pt -126.86 53.71 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.718 HG22 ' O ' ' A' ' 29' ' ' THR . 3.5 m -162.21 35.82 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.435 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -143.99 -49.46 0.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' A' ' 35' ' ' PHE . . . -38.88 -52.63 2.55 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 110.951 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -46.44 -74.02 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 0.757 . . . . 0.0 109.282 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 15.4 mt -45.5 -58.6 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -54.17 -18.15 3.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.537 ' CD1' ' CB ' ' A' ' 49' ' ' CYS . 87.0 t80 -110.23 2.75 19.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 111.017 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 32' ' ' LYS . 79.4 m-20 -140.99 28.37 1.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.462 ' O ' ' N ' ' A' ' 39' ' ' PHE . 35.9 ttt85 -106.51 90.73 3.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.355 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.4 ttmm -44.5 95.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.587 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 31.9 p90 -104.12 162.51 13.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.137 . . . . 0.0 110.961 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.58 134.33 52.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.495 HG23 ' O ' ' A' ' 45' ' ' LYS . 19.8 p -84.16 154.54 63.59 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.41 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.867 ' HG3' ' HA3' ' A' ' 101' ' ' GLY . 47.7 Cg_endo -61.32 -9.68 13.58 Favored 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 124.254 3.302 . . . . 0.0 109.606 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 p -102.8 35.06 2.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.987 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 43.2 80.33 0.05 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.486 1.116 . . . . 0.0 110.981 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.495 ' O ' HG23 ' A' ' 41' ' ' THR . 0.3 OUTLIER -175.22 123.13 0.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 0.775 . . . . 0.0 109.295 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -83.38 124.91 31.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.273 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.58 -174.36 3.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.587 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -166.52 154.81 10.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.537 ' CB ' ' CD1' ' A' ' 35' ' ' PHE . 35.4 m -70.44 -8.12 48.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 108.304 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.457 ' HA ' ' O ' ' A' ' 54' ' ' THR . . . -106.4 3.05 26.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.406 ' HB2' ' O ' ' A' ' 48' ' ' ALA . 0.5 OUTLIER -83.44 -16.17 46.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.006 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 21.2 m -126.23 -43.23 1.8 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 108.315 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.511 ' O ' ' OG1' ' A' ' 54' ' ' THR . 79.0 m-70 -95.26 18.86 11.58 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 114.999 -1.001 . . . . 0.0 109.784 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.511 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 49.9 p 50.25 170.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.402 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.442 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 9.6 p30 -52.18 -24.97 7.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.118 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -129.92 127.2 22.73 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.502 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 73.2 Cg_endo -71.08 -43.19 1.68 Allowed 'Trans proline' 0 N--CA 1.448 -1.202 0 C-N-CA 124.333 3.356 . . . . 0.0 109.585 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.407 ' HA ' ' HB2' ' A' ' 74' ' ' ALA . . . -55.09 -18.13 5.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 0.0 109.273 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -86.91 176.19 7.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 51.0 t -77.94 124.5 36.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.414 ' HA2' HG23 ' A' ' 54' ' ' THR . . . -91.89 -169.33 41.15 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.514 1.134 . . . . 0.0 111.002 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.466 ' CG ' ' O ' ' A' ' 68' ' ' LYS . 6.9 ttpt 176.1 131.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 0.749 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -83.01 133.73 35.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.0 pt -83.65 6.92 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 61.5 t -84.63 -49.53 15.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 72.2 p -107.78 -32.78 7.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 110.411 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 88.68 45.16 4.98 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.455 1.097 . . . . 0.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.466 ' O ' ' CG ' ' A' ' 62' ' ' LYS . 0.6 OUTLIER -98.04 -161.56 0.88 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 0.752 . . . . 0.0 109.326 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.469 ' N ' ' CD ' ' A' ' 69' ' ' GLU . 1.2 pm0 -131.73 101.29 5.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.297 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.2 mm -83.59 115.43 59.44 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.404 ' HB3' ' HD2' ' A' ' 72' ' ' PRO . 76.6 Cg_exo -50.02 166.0 0.3 Allowed 'Trans proline' 0 N--CA 1.448 -1.196 0 C-N-CA 124.307 3.338 . . . . 0.0 109.576 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.404 ' HD2' ' HB3' ' A' ' 71' ' ' PRO . 1.3 Cg_endo -42.37 126.55 3.94 Favored 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.311 3.341 . . . . 0.0 109.577 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 75' ' ' PRO . 6.4 tp -81.96 -33.86 30.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.279 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.58 ' HB3' ' HB ' ' A' ' 77' ' ' VAL . . . -37.73 97.8 0.14 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.491 ' HA ' ' CB ' ' A' ' 81' ' ' ARG . 24.4 Cg_exo -63.55 -17.14 58.69 Favored 'Trans proline' 0 N--CA 1.447 -1.265 0 C-N-CA 124.338 3.359 . . . . 0.0 109.609 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.662 ' NH1' HG22 ' A' ' 120' ' ' THR . 0.0 OUTLIER -93.99 -46.09 7.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.326 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.58 ' HB ' ' HB3' ' A' ' 74' ' ' ALA . 15.3 t -54.13 -41.76 52.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.458 ' N ' ' OD1' ' A' ' 78' ' ' ASN . 0.4 OUTLIER -93.69 133.04 37.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 21.2 p -81.31 -7.39 59.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.427 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.93 43.82 1.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.491 ' CB ' ' HA ' ' A' ' 75' ' ' PRO . 51.6 mmt-85 -144.64 170.52 15.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.366 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.489 ' CD1' ' HB3' ' A' ' 75' ' ' PRO . 2.0 m-30 39.09 64.9 0.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 88.8 m -102.34 -61.39 1.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.424 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -85.11 110.23 18.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.272 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.714 HG23 HD21 ' A' ' 8' ' ' LEU . 2.8 mp -69.95 -42.41 79.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.72 -57.67 5.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.451 ' C ' ' N ' ' A' ' 89' ' ' GLU . 0.7 OUTLIER -57.41 -66.17 0.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.627 HG11 HD11 ' A' ' 8' ' ' LEU . 1.2 t -39.93 -30.19 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.451 ' N ' ' C ' ' A' ' 87' ' ' LYS . 1.1 tm-20 -81.06 61.97 4.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.289 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.405 ' CG ' ' O ' ' A' ' 89' ' ' GLU . 1.7 m-20 167.08 -46.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.234 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.453 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 3.6 mm-40 -57.44 -16.62 9.92 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.527 1.142 . . . . 0.0 110.252 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.7 ' CZ ' ' CMA' ' A' ' 125' ' ' HEC . 0.1 OUTLIER -88.09 -23.02 23.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.5 HG23 ' CG ' ' A' ' 103' ' ' ASP . 1.2 m -89.43 -39.58 13.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.403 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -68.13 -29.79 68.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.582 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.2 t60 -68.33 -59.25 3.33 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.775 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.418 ' C ' ' O ' ' A' ' 102' ' ' ALA . 7.7 m -55.9 -23.99 34.78 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.342 -0.844 . . . . 0.0 109.564 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.408 ' HA ' ' N ' ' A' ' 102' ' ' ALA . 1.8 m-20 -82.12 -13.33 57.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.257 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -117.18 4.78 12.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.582 HG13 ' CE1' ' A' ' 95' ' ' HIS . 36.3 mm -120.82 -50.6 3.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.57 HD12 ' SG ' ' A' ' 104' ' ' CYS . 52.7 mt -98.24 -25.18 14.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.867 ' HA3' ' HG3' ' A' ' 42' ' ' PRO . . . 99.13 13.87 37.95 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 96' ' ' CYS . . . -164.91 -172.41 2.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 0.778 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.5 ' CG ' HG23 ' A' ' 93' ' ' THR . 14.5 t0 -93.08 122.53 35.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.359 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.57 ' SG ' HD12 ' A' ' 100' ' ' LEU . 35.8 m -59.37 162.24 4.92 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.031 -0.986 . . . . 0.0 109.531 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 6.7 t -78.39 141.41 61.38 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 109.997 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_endo -57.14 -15.65 18.8 Favored 'Trans proline' 0 N--CA 1.447 -1.257 0 C-N-CA 124.329 3.352 . . . . 0.0 109.585 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 60.1 p -85.57 -43.21 13.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.968 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -70.8 -9.9 58.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 110.245 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.571 ' HD2' ' CD1' ' A' ' 92' ' ' PHE . 0.6 OUTLIER -86.28 -62.65 1.47 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.349 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.794 ' HB2' ' HB2' ' A' ' 12' ' ' TYR . . . -56.47 -18.37 11.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 109.254 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -77.17 -52.36 9.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.254 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.718 ' CE2' HD22 ' A' ' 116' ' ' LEU . 57.0 t80 -61.53 -43.16 99.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.575 1.172 . . . . 0.0 110.985 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.547 HG22 HG22 ' A' ' 9' ' ' VAL . 1.4 mt -53.7 -34.44 24.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 118' ' ' THR . . . -71.15 -69.82 0.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -41.05 -27.66 0.07 Allowed 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 114.999 -1.001 . . . . 0.0 109.81 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.718 HD22 ' CE2' ' A' ' 112' ' ' PHE . 0.3 OUTLIER -79.61 -48.29 14.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.145 . . . . 0.0 109.331 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.884 ' O ' HD12 ' A' ' 117' ' ' LEU . 1.0 OUTLIER -85.72 12.9 7.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.266 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 114' ' ' ALA . 6.8 m -99.96 -67.54 0.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.367 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -63.32 126.42 27.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.312 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.662 HG22 ' NH1' ' A' ' 76' ' ' ARG . 70.2 p -117.21 42.59 2.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.383 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.87 145.7 0.65 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.113 . . . . 0.0 109.321 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -76.24 167.11 26.49 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.295 3.33 . . . . 0.0 109.594 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 3.8 t -55.05 -24.88 27.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.401 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' HEC . . . . . 0.7 ' CMA' ' CZ ' ' A' ' 92' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.727 ' C ' HG23 ' A' ' 2' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.727 HG23 ' C ' ' A' ' 1' ' ' ASP . 3.2 t 87.17 -41.53 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.1 m -40.8 -43.55 2.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.359 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.783 ' HB3' HD12 ' A' ' 85' ' ' ILE . 0.4 OUTLIER -78.24 -47.64 17.51 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.103 . . . . 0.0 109.28 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.405 ' HB3' ' HA ' ' A' ' 2' ' ' VAL . . . -49.65 -49.98 45.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -59.72 -44.87 93.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.112 . . . . 0.0 110.307 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 11' ' ' LYS . 1.7 mmtt -57.1 -47.91 79.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.672 HD21 ' CG1' ' A' ' 85' ' ' ILE . 9.9 mt -53.29 -53.5 49.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.667 HG21 HD21 ' A' ' 117' ' ' LEU . 93.2 t -59.08 -37.74 69.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -79.28 -6.71 57.3 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.864 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 14' ' ' ASN . 4.5 mmtt -102.73 -72.34 0.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.738 ' CB ' ' HB2' ' A' ' 110' ' ' ALA . 80.8 m-85 -46.14 -24.36 0.44 Allowed 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.807 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.42 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 11.6 m -73.33 -37.86 65.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.364 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 11' ' ' LYS . 3.8 m120 -66.44 -52.31 47.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.5 mt -52.33 -51.73 30.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.85 -57.46 9.28 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -57.28 -33.33 67.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.615 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 39.7 t -72.59 -8.21 54.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 110.031 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -112.78 -42.73 3.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.282 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -134.85 96.41 14.71 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_exo -44.51 -24.74 1.16 Allowed 'Trans proline' 0 N--CA 1.447 -1.257 0 C-N-CA 124.324 3.349 . . . . 0.0 109.615 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 3.5 mtt -60.65 -45.24 94.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.968 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -75.95 118.08 18.34 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.82 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -114.72 -44.56 3.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.584 ' HB1' ' CD ' ' A' ' 26' ' ' PRO . . . -136.79 172.88 6.23 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.165 . . . . 0.0 109.28 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.584 ' CD ' ' HB1' ' A' ' 25' ' ' ALA . 1.4 Cg_endo -85.58 -173.76 1.44 Allowed 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.287 3.325 . . . . 0.0 109.605 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.2 t -154.8 162.64 41.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.992 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.0 pt -118.23 48.47 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.294 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.67 HG22 ' O ' ' A' ' 29' ' ' THR . 14.1 m -160.78 36.82 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.42 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' A' ' 30' ' ' ASP . 0.0 OUTLIER -142.39 -46.14 0.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.086 . . . . 0.0 109.343 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 35' ' ' PHE . . . -49.09 -45.79 33.51 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.483 1.114 . . . . 0.0 111.005 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.494 ' HB3' ' CZ ' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -49.23 -51.13 35.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 0.79 . . . . 0.0 109.283 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.2 mt -62.91 -59.06 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.32 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -55.71 -16.44 4.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.585 ' CD1' ' HB2' ' A' ' 49' ' ' CYS . 89.6 t80 -111.03 4.05 19.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.42 ' OD1' ' O ' ' A' ' 35' ' ' PHE . 75.7 m-20 -140.42 24.24 2.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.356 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -106.87 100.31 9.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.34 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.6 ttmt -52.2 95.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.573 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 26.3 p90 -100.53 163.97 12.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -108.46 143.0 38.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 45' ' ' LYS . 25.3 p -96.69 153.4 38.74 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 110.417 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.754 ' HG3' ' HA3' ' A' ' 101' ' ' GLY . 61.2 Cg_endo -64.57 -7.95 15.91 Favored 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.321 3.347 . . . . 0.0 109.602 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 p -99.52 32.53 2.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.566 1.166 . . . . 0.0 109.971 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 46.31 72.32 0.41 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.412 ' O ' HG23 ' A' ' 41' ' ' THR . 11.0 ttpp -176.43 135.73 0.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 0.744 . . . . 0.0 109.292 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -91.38 151.73 20.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.322 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -163.0 -179.93 7.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.573 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -159.04 155.48 27.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.585 ' HB2' ' CD1' ' A' ' 35' ' ' PHE . 29.3 m -70.5 -8.52 51.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 108.298 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.45 ' HA ' ' O ' ' A' ' 54' ' ' THR . . . -105.41 2.83 29.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.408 ' HB2' ' O ' ' A' ' 48' ' ' ALA . 0.3 OUTLIER -82.57 -16.67 47.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.112 . . . . 0.0 110.025 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 68.2 m -125.95 -45.86 1.71 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.153 . . . . 0.0 108.297 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.506 ' O ' ' O ' ' A' ' 54' ' ' THR . 59.1 m-70 -92.68 18.54 8.62 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 114.975 -1.011 . . . . 0.0 109.783 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.506 ' O ' ' O ' ' A' ' 53' ' ' HIS . 36.5 p 49.55 171.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 110.389 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -52.48 -21.7 4.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -134.82 126.24 17.78 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.883 ' HB3' HD23 ' A' ' 73' ' ' LEU . 69.4 Cg_endo -70.56 -43.57 1.93 Allowed 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.301 3.334 . . . . 0.0 109.584 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.2 -18.67 4.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -89.23 171.24 9.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 73.0 t -71.07 135.83 27.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.253 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -110.24 -176.12 20.82 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.46 1.1 . . . . 0.0 110.938 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.3 tttt -161.02 133.99 6.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 0.743 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.651 ' ND2' HD11 ' A' ' 70' ' ' ILE . 80.7 m-20 -80.56 126.37 31.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.6 pt -84.51 7.42 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 55.4 t -86.61 -56.17 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.1 p -111.79 -33.42 6.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.43 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 84.33 40.03 8.73 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.485 1.116 . . . . 0.0 111.024 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.453 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 1.4 tppp? -77.83 -92.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 0.77 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.453 ' HB3' ' O ' ' A' ' 68' ' ' LYS . 13.0 pt-20 176.35 120.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.651 HD11 ' ND2' ' A' ' 63' ' ' ASN . 2.2 mm -111.61 127.86 26.26 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -77.63 167.49 24.04 Favored 'Trans proline' 0 N--CA 1.447 -1.221 0 C-N-CA 124.292 3.328 . . . . 0.0 109.594 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_exo -36.89 131.85 0.44 Allowed 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 124.323 3.349 . . . . 0.0 109.555 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.883 HD23 ' HB3' ' A' ' 57' ' ' PRO . 6.6 tp -82.57 -30.73 29.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.643 ' HA ' HD12 ' A' ' 116' ' ' LEU . . . -39.99 99.63 0.2 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.632 ' HB3' ' CD1' ' A' ' 82' ' ' PHE . 24.6 Cg_exo -62.94 -11.35 24.11 Favored 'Trans proline' 0 N--CA 1.448 -1.181 0 C-N-CA 124.312 3.342 . . . . 0.0 109.581 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.1 ttp85 -97.95 -45.63 6.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 110.278 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.496 ' HB ' ' HB3' ' A' ' 74' ' ' ALA . 19.6 t -48.32 -42.92 11.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.492 ' OD1' HG12 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -102.48 149.26 24.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.26 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.402 ' O ' ' OG1' ' A' ' 83' ' ' THR . 25.1 p -81.92 -45.4 15.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 110.382 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -72.14 59.27 0.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 49.6 mmt-85 -143.56 -90.98 0.12 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.55 1.157 . . . . 0.0 110.317 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.632 ' CD1' ' HB3' ' A' ' 75' ' ' PRO . 2.3 m-30 -80.46 48.54 1.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.97 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 79' ' ' THR . 32.0 m -87.85 -10.46 50.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.405 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.587 ' O ' HG23 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -130.67 117.61 19.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 109.339 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.783 HD12 ' HB3' ' A' ' 4' ' ' ASN . 7.4 tt -90.21 9.72 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.02 -76.89 0.44 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.467 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 3.3 tttt -48.01 -25.99 1.61 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.163 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 84' ' ' ASP . 1.4 t -41.21 -53.72 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -86.42 75.24 9.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 110.259 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -174.96 -71.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.482 ' HG3' ' N ' ' A' ' 92' ' ' PHE . 8.7 pt-20 -57.9 -35.65 71.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.576 ' CD1' ' HD2' ' A' ' 109' ' ' LYS . 0.1 OUTLIER -61.45 -30.23 70.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 110.947 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.563 HG23 ' CG ' ' A' ' 103' ' ' ASP . 1.1 m -85.65 -36.96 19.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.377 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.34 -28.63 65.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.551 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.3 t60 -67.14 -59.11 3.73 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.793 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.403 ' C ' ' O ' ' A' ' 102' ' ' ALA . 9.6 m -57.15 -23.26 46.16 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.617 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.451 ' HA ' ' N ' ' A' ' 102' ' ' ALA . 1.9 m-80 -81.76 -12.75 58.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.8 8.69 11.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.431 1.082 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.551 HG13 ' CE1' ' A' ' 95' ' ' HIS . 45.1 mm -126.01 -43.9 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.723 HD12 ' SG ' ' A' ' 104' ' ' CYS . 50.8 mt -105.18 -30.77 9.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.754 ' HA3' ' HG3' ' A' ' 42' ' ' PRO . . . 108.36 10.34 25.78 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.537 1.148 . . . . 0.0 110.983 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.451 ' N ' ' HA ' ' A' ' 97' ' ' ASN . . . -169.13 -175.85 2.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 0.73 . . . . 0.0 109.293 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.563 ' CG ' HG23 ' A' ' 93' ' ' THR . 9.9 t0 -85.9 124.68 32.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.723 ' SG ' HD12 ' A' ' 100' ' ' LEU . 56.2 m -61.0 160.81 9.26 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.584 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 29.2 t -71.73 143.76 87.5 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 0.0 110.0 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -57.31 -20.42 39.38 Favored 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 124.351 3.368 . . . . 0.0 109.589 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 60.1 p -81.32 -40.86 22.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.997 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -66.92 -18.71 65.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.321 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.576 ' HD2' ' CD1' ' A' ' 92' ' ' PHE . 1.2 tppp? -81.51 -59.19 2.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.738 ' HB2' ' CB ' ' A' ' 12' ' ' TYR . . . -56.63 -17.77 9.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.408 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 0.2 OUTLIER -81.86 -53.01 6.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.319 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.769 ' CZ ' HD21 ' A' ' 116' ' ' LEU . 77.0 t80 -57.2 -46.55 82.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 0.0 111.028 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.5 ' O ' HD23 ' A' ' 117' ' ' LEU . 1.5 mt -53.91 -34.49 25.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 111' ' ' ASN . . . -69.65 -65.51 0.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.494 ' CZ ' ' HB3' ' A' ' 32' ' ' LYS . 0.9 OUTLIER -49.66 -29.95 8.2 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.805 -179.912 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.769 HD21 ' CZ ' ' A' ' 112' ' ' PHE . 2.3 mm? -74.85 -44.12 50.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.743 ' O ' HD12 ' A' ' 117' ' ' LEU . 1.6 pp -86.37 10.15 15.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.722 ' O ' HG23 ' A' ' 120' ' ' THR . 24.1 m -97.34 -68.82 0.78 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.54 1.15 . . . . 0.0 110.39 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -61.46 101.48 0.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 110.268 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.722 HG23 ' O ' ' A' ' 118' ' ' THR . 69.3 p -99.53 43.76 1.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.385 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.37 149.94 0.97 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -71.69 166.94 27.9 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.344 3.363 . . . . 0.0 109.593 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 2.5 m -73.59 -58.63 3.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 110.401 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 2.3 mttt . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 179.974 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' HEC . . . . . 0.676 HMB1 HBB3 ' A' ' 125' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.752 ' C ' HG23 ' A' ' 2' ' ' VAL . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.752 HG23 ' C ' ' A' ' 1' ' ' ASP . 3.0 t 86.95 -38.86 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.6 m -57.23 -16.5 8.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.435 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -106.01 -67.09 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.259 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.781 ' O ' HG23 ' A' ' 9' ' ' VAL . . . -43.04 -32.76 0.71 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.45 ' CB ' ' O ' ' A' ' 2' ' ' VAL . 19.3 tp10 -70.01 -44.78 68.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 4' ' ' ASN . 0.1 OUTLIER -57.87 -47.28 83.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.411 HD11 ' CG1' ' A' ' 88' ' ' VAL . 6.2 mt -54.5 -53.4 54.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.26 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.781 HG23 ' O ' ' A' ' 5' ' ' ALA . 62.1 t -54.36 -53.01 33.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -71.33 -2.7 17.22 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.014 -0.993 . . . . 0.0 109.827 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 7' ' ' LYS . 26.7 mmtt -101.4 -72.96 0.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.735 ' CB ' ' HB2' ' A' ' 110' ' ' ALA . 92.4 m-85 -50.48 -22.06 1.76 Allowed 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.823 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.44 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 27.9 m -76.28 -45.7 31.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 110.397 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.423 ' O ' ' N ' ' A' ' 18' ' ' SER . 2.1 m120 -60.79 -51.11 70.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.4 mt -53.8 -46.22 62.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.07 -40.91 95.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.342 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.464 ' ND1' ' O ' ' A' ' 23' ' ' TYR . 13.8 t60 -71.23 -31.15 67.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.102 . . . . 0.0 109.658 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 14' ' ' ASN . 31.6 t -70.88 -16.68 62.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.102 . . . . 0.0 110.017 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -101.96 -31.06 10.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.259 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.452 ' ND2' ' SD ' ' A' ' 22' ' ' MET . 0.1 OUTLIER -141.87 114.03 6.49 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -77.2 48.55 2.56 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.283 3.322 . . . . 0.0 109.601 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.452 ' SD ' ' ND2' ' A' ' 20' ' ' ASN . 24.7 ptt? -151.54 39.08 0.64 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 111.047 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.464 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 51.3 t80 -150.49 122.47 8.21 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.816 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -101.0 -45.57 5.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.669 ' HB1' ' CD ' ' A' ' 26' ' ' PRO . . . -167.14 175.99 1.89 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.252 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.669 ' CD ' ' HB1' ' A' ' 25' ' ' ALA . 23.7 Cg_exo -68.69 -172.97 0.51 Allowed 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.326 3.351 . . . . 0.0 109.584 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.14 21.57 1.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.986 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 44.7 pt 43.91 49.56 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 109.324 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 92.5 m -127.94 -62.87 1.04 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.132 . . . . 0.0 110.431 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.84 -37.16 2.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.582 ' O ' ' CD2' ' A' ' 115' ' ' TYR . . . -69.22 58.94 0.59 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.485 1.116 . . . . 0.0 111.023 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.479 ' HG2' ' CZ ' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -161.67 -62.02 0.05 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.537 0.787 . . . . 0.0 109.304 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 22.7 mt -76.81 -49.3 23.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.613 ' CZ ' ' CD ' ' A' ' 108' ' ' GLU . 32.0 t80 -54.9 -19.83 7.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.604 ' CD1' ' CB ' ' A' ' 49' ' ' CYS . 87.0 t80 -109.23 4.09 22.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.424 ' OD1' ' O ' ' A' ' 35' ' ' PHE . 82.0 m-20 -142.21 27.89 1.73 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.418 1.074 . . . . 0.0 109.27 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 39' ' ' PHE . 2.3 tpm_? -105.11 94.47 5.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -45.41 94.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.589 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 25.6 p90 -107.51 158.24 17.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.976 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.89 139.89 41.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.423 ' HB ' ' HD2' ' A' ' 42' ' ' PRO . 30.0 p -87.95 154.78 52.72 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.428 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.781 ' HG3' ' HA3' ' A' ' 101' ' ' GLY . 44.9 Cg_endo -60.91 -7.98 8.76 Favored 'Trans proline' 0 N--CA 1.448 -1.202 0 C-N-CA 124.313 3.342 . . . . 0.0 109.604 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -102.21 32.49 3.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.021 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 45.8 79.6 0.06 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.56 1.162 . . . . 0.0 110.985 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 20.4 ttpt -174.88 129.46 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 0.742 . . . . 0.0 109.327 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -88.93 124.17 33.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.245 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -136.89 -171.07 2.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.594 ' O ' HMC3 ' A' ' 125' ' ' HEC . . . -171.72 154.33 3.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.107 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.604 ' CB ' ' CD1' ' A' ' 35' ' ' PHE . 22.0 m -70.69 -8.14 49.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 108.311 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.44 ' HA ' ' O ' ' A' ' 54' ' ' THR . . . -106.5 4.61 28.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.401 ' HB2' ' O ' ' A' ' 48' ' ' ALA . 0.3 OUTLIER -83.92 -20.17 33.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.964 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.412 ' HA ' ' O ' ' A' ' 62' ' ' LYS . 85.8 m -123.69 -47.73 1.94 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 108.248 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.51 ' O ' ' OG1' ' A' ' 54' ' ' THR . 56.6 m-70 -89.49 16.46 7.62 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 115.034 -0.984 . . . . 0.0 109.709 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.51 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 51.4 p 50.07 170.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 110.388 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -52.52 -25.71 11.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -129.01 124.76 22.56 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 109.313 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.462 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 60.2 Cg_endo -70.58 -37.97 6.58 Favored 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.301 3.334 . . . . 0.0 109.6 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.559 ' HA ' ' HB2' ' A' ' 74' ' ' ALA . . . -60.45 -14.22 18.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -91.61 173.66 7.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.336 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.3 t -75.5 121.86 28.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.478 ' HA2' HG23 ' A' ' 54' ' ' THR . . . -92.19 -174.85 42.2 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.536 1.147 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 52' ' ' CYS . 3.9 ttpm? -161.71 135.34 6.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 0.795 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.912 ' ND2' HD11 ' A' ' 70' ' ' ILE . 89.1 m-20 -85.24 131.28 34.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.3 pt -85.36 6.75 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 64.6 t -88.13 -52.33 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 76.7 p -109.46 -33.46 6.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 110.375 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 80.93 36.46 21.89 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.522 1.139 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.403 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 0.2 OUTLIER -83.63 -95.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 0.743 . . . . 0.0 109.264 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.403 ' HB3' ' O ' ' A' ' 68' ' ' LYS . 11.3 pt-20 -179.21 122.88 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.912 HD11 ' ND2' ' A' ' 63' ' ' ASN . 2.6 mm -109.39 106.7 58.94 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.41 ' HB2' ' NH2' ' A' ' 81' ' ' ARG . 78.4 Cg_exo -49.62 165.13 0.29 Allowed 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.29 3.327 . . . . 0.0 109.628 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.403 ' HD2' ' HB3' ' A' ' 71' ' ' PRO . 0.9 OUTLIER -41.61 127.44 3.38 Favored 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.306 3.338 . . . . 0.0 109.649 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.617 HD11 ' O2A' ' A' ' 125' ' ' HEC . 5.3 tp -84.41 -28.46 26.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.275 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.559 ' HB2' ' HA ' ' A' ' 58' ' ' ALA . . . -37.1 96.51 0.11 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.618 ' HB3' ' CD1' ' A' ' 82' ' ' PHE . 21.9 Cg_exo -67.01 54.13 0.44 Allowed 'Trans proline' 0 N--CA 1.448 -1.187 0 C-N-CA 124.306 3.337 . . . . 0.0 109.568 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.436 ' NH1' ' CG2' ' A' ' 120' ' ' THR . 10.0 ttt180 -166.05 -53.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.275 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 14.3 t -44.6 -41.92 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.456 ' N ' ' OD1' ' A' ' 78' ' ' ASN . 0.4 OUTLIER -92.01 153.09 19.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.2 p -93.49 3.46 55.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.38 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.76 45.16 2.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.41 ' NH2' ' HB2' ' A' ' 71' ' ' PRO . 28.9 mmt-85 -146.24 145.79 30.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 110.267 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.618 ' CD1' ' HB3' ' A' ' 75' ' ' PRO . 0.4 OUTLIER 56.34 44.39 24.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 111.033 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.745 HG22 ' O ' ' A' ' 83' ' ' THR . 1.4 m -121.88 58.71 1.01 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 110.39 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 85' ' ' ILE . 37.4 p-10 177.36 66.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.412 ' C ' ' O ' ' A' ' 84' ' ' ASP . 7.2 mt -39.48 -47.98 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.257 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -41.05 -57.98 1.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -101.16 98.01 8.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 109.262 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.411 ' CG1' HD11 ' A' ' 8' ' ' LEU . 0.5 OUTLIER 173.82 -34.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.155 . . . . 0.0 109.309 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -72.15 -46.82 54.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 110.295 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -74.75 -45.4 44.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -53.94 -20.75 6.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.345 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.61 ' CZ ' ' CMA' ' A' ' 125' ' ' HEC . 0.1 OUTLIER -85.74 -25.23 26.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.459 HG23 ' OD2' ' A' ' 103' ' ' ASP . 1.0 OUTLIER -89.06 -30.49 18.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.427 1.08 . . . . 0.0 110.435 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.5 mmtt -76.67 -32.76 58.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.249 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.589 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.5 t60 -66.79 -58.54 4.85 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.019 -0.992 . . . . 0.0 109.75 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 41.5 m -56.45 -25.96 52.27 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.566 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.426 ' HA ' ' N ' ' A' ' 102' ' ' ALA . 1.6 m-80 -80.32 -12.3 59.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.89 7.67 12.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.589 HG13 ' CE1' ' A' ' 95' ' ' HIS . 47.3 mm -124.69 -45.59 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.255 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.429 ' O ' ' CD ' ' A' ' 42' ' ' PRO . 47.1 mt -103.66 -28.69 11.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.781 ' HA3' ' HG3' ' A' ' 42' ' ' PRO . . . 104.78 10.51 32.6 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.435 1.085 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.426 ' N ' ' HA ' ' A' ' 97' ' ' ASN . . . -164.2 -174.24 3.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 0.746 . . . . 0.0 109.306 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.459 ' OD2' HG23 ' A' ' 93' ' ' THR . 13.4 t0 -88.26 124.57 34.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.227 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 14.5 m -54.13 164.19 0.68 Allowed 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.605 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.495 ' O ' ' HG3' ' A' ' 108' ' ' GLU . 23.2 t -76.9 144.11 71.97 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.982 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.405 ' HD2' ' OG ' ' A' ' 105' ' ' SER . 66.8 Cg_endo -64.29 -10.08 22.36 Favored 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.288 3.325 . . . . 0.0 109.643 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 63.1 p -100.42 -46.91 5.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.013 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.613 ' CD ' ' CZ ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -66.9 -8.46 29.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.583 ' HD2' ' CD1' ' A' ' 92' ' ' PHE . 2.3 tppp? -92.63 -64.48 1.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.735 ' HB2' ' CB ' ' A' ' 12' ' ' TYR . . . -47.04 -25.06 0.74 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.424 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 0.4 OUTLIER -73.53 -58.13 3.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.885 ' CE2' HD11 ' A' ' 116' ' ' LEU . 45.8 t80 -51.53 -43.26 62.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 111.023 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.644 ' O ' HD23 ' A' ' 117' ' ' LEU . 1.8 mt -55.21 -34.28 32.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 117' ' ' LEU . . . -70.86 -65.86 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.582 ' CD2' ' O ' ' A' ' 31' ' ' GLY . 0.6 OUTLIER -44.37 -31.65 1.11 Allowed 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.863 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.885 HD11 ' CE2' ' A' ' 112' ' ' PHE . 16.9 mt -74.84 -42.2 58.42 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.874 ' O ' HD12 ' A' ' 117' ' ' LEU . 1.1 pp -92.07 28.61 1.82 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 2.4 m -119.54 -62.33 1.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.428 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -72.67 123.49 23.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.322 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.436 ' CG2' ' NH1' ' A' ' 76' ' ' ARG . 61.5 p -123.98 48.76 1.85 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.377 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -166.56 113.34 0.71 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -47.1 174.5 0.02 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.321 3.347 . . . . 0.0 109.627 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 3.4 m -63.88 -48.69 75.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.405 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 9.1 ptmt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 179.997 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' HEC . . . . . 0.659 HMB1 HBB3 ' A' ' 125' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.735 ' O ' HG13 ' A' ' 2' ' ' VAL . 1.5 p -90.84 42.77 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.556 ' O ' HG23 ' A' ' 3' ' ' THR . 0.6 OUTLIER -82.8 14.39 3.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.409 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.493 ' HA ' HD11 ' A' ' 85' ' ' ILE . 0.1 OUTLIER -105.02 -63.61 1.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.965 ' CB ' HD21 ' A' ' 117' ' ' LEU . . . -37.74 -52.31 1.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -43.85 -46.01 7.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 110.338 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.485 ' HE3' HG21 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -57.83 -55.18 38.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.478 HD22 ' CE2' ' A' ' 12' ' ' TYR . 9.9 mt -47.62 -45.77 27.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.522 HG22 HG22 ' A' ' 113' ' ' ILE . 89.5 t -57.34 -52.18 60.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -74.13 -0.12 15.63 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.837 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.5 tptt -100.87 -72.04 0.69 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.666 ' HB2' ' HB2' ' A' ' 110' ' ' ALA . 90.8 m-85 -53.52 -21.01 5.59 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.814 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.438 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 50.1 m -78.83 -50.49 11.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.442 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -58.72 -54.85 42.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.5 mt -49.18 -49.34 16.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.469 ' O ' ' ND2' ' A' ' 20' ' ' ASN . . . -56.52 -49.98 73.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.47 ' ND1' ' O ' ' A' ' 23' ' ' TYR . 9.8 t60 -61.92 -31.92 72.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.562 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 34.5 t -69.33 -12.26 61.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.117 . . . . 0.0 110.004 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -98.79 -39.29 8.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.504 ' N ' HD22 ' A' ' 20' ' ' ASN . 0.4 OUTLIER -144.89 134.29 11.38 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 0.0 109.311 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -82.37 52.69 4.2 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.289 3.326 . . . . 0.0 109.6 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 24.2 ptm -151.28 40.77 0.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.983 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.47 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 20.9 t80 -152.71 108.25 3.29 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.82 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -91.28 -48.15 7.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 110.278 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.635 ' HB1' ' CD ' ' A' ' 26' ' ' PRO . . . -156.37 175.02 3.45 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.635 ' CD ' ' HB1' ' A' ' 25' ' ' ALA . 7.0 Cg_exo -75.01 -170.09 0.73 Allowed 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.346 3.364 . . . . 0.0 109.573 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.0 t -137.9 160.8 38.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.003 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.3 pt -115.26 25.81 4.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 64.8 m -149.76 36.55 0.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.39 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 33' ' ' ILE . 7.8 t70 -145.62 -44.91 0.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.481 ' N ' HD21 ' A' ' 111' ' ' ASN . . . -47.89 -22.62 2.11 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.471 1.107 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.482 ' HB3' ' CZ ' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -72.94 -35.75 67.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 0.743 . . . . 0.0 109.268 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 30' ' ' ASP . 31.5 mt -71.3 -55.28 14.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -60.27 -13.33 12.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.52 ' CD1' ' CB ' ' A' ' 49' ' ' CYS . 89.2 t80 -112.33 4.52 17.71 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.095 . . . . 0.0 110.989 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.418 ' OD1' ' O ' ' A' ' 35' ' ' PHE . 73.7 m-20 -140.1 23.48 2.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.5 ttt85 -105.67 98.23 7.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.305 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.8 ttmt -51.61 95.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.245 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.547 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 26.2 p90 -99.12 164.73 12.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.75 148.39 26.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 67.1 p -104.61 154.04 38.76 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.398 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.779 ' HG3' ' HA3' ' A' ' 101' ' ' GLY . 72.3 Cg_endo -67.4 -4.88 12.68 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.304 3.336 . . . . 0.0 109.572 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 p -106.36 27.01 9.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.142 . . . . 0.0 109.998 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.409 ' O ' ' HB2' ' A' ' 45' ' ' LYS . . . 46.3 79.54 0.06 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.491 1.119 . . . . 0.0 110.961 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 44' ' ' GLY . 0.6 OUTLIER 176.31 95.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 0.785 . . . . 0.0 109.291 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.21 154.85 2.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.272 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -165.36 176.48 8.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.363 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.547 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -154.99 154.56 32.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.52 ' CB ' ' CD1' ' A' ' 35' ' ' PHE . 58.7 m -66.83 -10.67 50.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 108.322 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.443 ' HB1' ' HA ' ' A' ' 55' ' ' ASN . . . -105.49 7.01 32.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.488 ' OG ' ' CMC' ' A' ' 125' ' ' HEC . 91.1 p -76.56 -31.01 57.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.414 1.071 . . . . 0.0 110.011 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 63.9 m -117.17 -45.55 2.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 108.3 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.514 ' O ' ' OG1' ' A' ' 54' ' ' THR . 67.4 m-70 -84.51 13.96 5.02 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.73 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.514 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 74.0 p 50.72 170.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 110.442 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.443 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 5.8 p30 -55.15 -21.64 14.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -130.3 125.05 21.6 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -72.17 -45.34 0.67 Allowed 'Trans proline' 0 N--CA 1.447 -1.245 0 C-N-CA 124.285 3.324 . . . . 0.0 109.625 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.632 ' HA ' ' HB2' ' A' ' 74' ' ' ALA . . . -55.48 -17.95 6.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -85.71 172.73 10.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.251 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 70.3 t -77.29 120.1 27.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 109.325 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.488 ' HA2' HG23 ' A' ' 54' ' ' THR . . . -90.4 -175.85 44.71 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.526 1.142 . . . . 0.0 111.051 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.3 ttmm -159.38 136.91 9.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.429 0.723 . . . . 0.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.932 ' ND2' HD11 ' A' ' 70' ' ' ILE . 86.5 m-20 -87.1 130.8 34.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.261 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.0 pt -84.76 8.14 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 53.4 t -89.8 -53.68 8.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.264 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 77.6 p -108.64 -31.76 7.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.343 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 78.77 37.15 27.05 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.515 1.134 . . . . 0.0 111.025 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.1 mmtt -84.26 -95.32 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 0.774 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -178.71 122.67 0.09 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.123 . . . . 0.0 110.317 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.932 HD11 ' ND2' ' A' ' 63' ' ' ASN . 3.1 mm -108.81 105.65 57.43 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -48.86 164.8 0.21 Allowed 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.333 3.355 . . . . 0.0 109.555 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -42.69 128.75 5.03 Favored 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.294 3.329 . . . . 0.0 109.616 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 75' ' ' PRO . 5.7 tp -85.06 -23.85 28.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.632 ' HB2' ' HA ' ' A' ' 58' ' ' ALA . . . -37.17 97.4 0.13 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.625 ' HB3' ' CD1' ' A' ' 82' ' ' PHE . 21.6 Cg_exo -66.38 55.01 0.4 Allowed 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.333 3.355 . . . . 0.0 109.595 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 74' ' ' ALA . 3.4 ttt180 -169.72 -51.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.319 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 18.2 t -46.22 -42.15 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.478 ' N ' ' OD1' ' A' ' 78' ' ' ASN . 0.2 OUTLIER -97.17 146.33 25.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 19.7 p -80.14 -24.2 40.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.417 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp -93.03 46.37 1.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.117 . . . . 0.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 64.3 mmt-85 -146.27 142.72 28.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.278 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.625 ' CD1' ' HB3' ' A' ' 75' ' ' PRO . 0.8 OUTLIER 53.29 40.47 31.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 111.023 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.729 HG22 ' O ' ' A' ' 83' ' ' THR . 1.4 m -117.8 58.4 0.8 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.372 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 46.2 p-10 176.2 65.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.493 HD11 ' HA ' ' A' ' 4' ' ' ASN . 96.8 mt -41.25 -48.92 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -42.23 -56.7 2.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 11.6 tttt -102.55 92.99 4.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.31 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER 175.85 -35.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.45 -12.99 60.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.299 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -99.55 -48.57 4.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.258 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -55.72 -33.71 64.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.324 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.668 ' CZ ' ' CMA' ' A' ' 125' ' ' HEC . 0.1 OUTLIER -66.35 -26.73 67.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 110.991 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.462 HG23 ' CG ' ' A' ' 103' ' ' ASP . 1.2 m -89.69 -34.76 16.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.406 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.04 -29.25 63.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.57 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.3 t60 -67.65 -58.11 5.24 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.802 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.412 ' C ' ' O ' ' A' ' 102' ' ' ALA . 5.9 m -55.81 -23.82 32.56 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.588 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.459 ' HA ' ' N ' ' A' ' 102' ' ' ALA . 2.2 m-80 -80.38 -13.69 58.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -117.57 4.21 12.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.57 HG13 ' CE1' ' A' ' 95' ' ' HIS . 20.4 mm -119.05 -49.81 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.669 HD12 ' SG ' ' A' ' 104' ' ' CYS . 50.2 mt -100.41 -26.25 13.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.779 ' HA3' ' HG3' ' A' ' 42' ' ' PRO . . . 103.56 11.34 33.41 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.538 1.149 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.459 ' N ' ' HA ' ' A' ' 97' ' ' ASN . . . -168.8 -174.84 2.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 0.767 . . . . 0.0 109.258 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.462 ' CG ' HG23 ' A' ' 93' ' ' THR . 30.1 t0 -84.71 126.76 33.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.669 ' SG ' HD12 ' A' ' 100' ' ' LEU . 55.0 m -64.69 161.04 18.62 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 114.966 -1.016 . . . . 0.0 109.59 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.473 ' HB3' ' CG ' ' A' ' 108' ' ' GLU . 33.2 t -66.46 143.73 98.35 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.441 1.088 . . . . 0.0 110.008 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -60.06 -20.39 60.69 Favored 'Trans proline' 0 N--CA 1.447 -1.246 0 C-N-CA 124.332 3.354 . . . . 0.0 109.599 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 64.4 p -88.92 -43.12 11.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.958 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.473 ' CG ' ' HB3' ' A' ' 105' ' ' SER . 9.1 mm-40 -59.05 -15.61 14.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.571 ' HD2' ' CD1' ' A' ' 92' ' ' PHE . 2.4 tppt? -80.64 -65.11 1.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.666 ' HB2' ' HB2' ' A' ' 12' ' ' TYR . . . -53.17 -20.59 4.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.481 HD21 ' N ' ' A' ' 31' ' ' GLY . 0.6 OUTLIER -73.87 -37.2 64.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.891 ' CZ ' HD11 ' A' ' 116' ' ' LEU . 40.5 t80 -79.45 -44.74 20.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.967 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.522 HG22 HG22 ' A' ' 9' ' ' VAL . 2.5 mt -54.95 -43.63 69.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 115' ' ' TYR . . . -60.26 -70.11 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.482 ' CZ ' ' HB3' ' A' ' 32' ' ' LYS . 1.5 t80 -38.02 -47.42 1.1 Allowed 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.807 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.891 HD11 ' CZ ' ' A' ' 112' ' ' PHE . 27.5 mt -59.95 -64.75 0.84 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.965 HD21 ' CB ' ' A' ' 5' ' ' ALA . 59.2 mt -41.7 -37.56 1.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.453 ' O ' HG23 ' A' ' 120' ' ' THR . 0.5 OUTLIER -72.24 -43.22 64.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.382 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 116' ' ' LEU . 3.7 mm-40 -60.86 113.57 2.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.453 HG23 ' O ' ' A' ' 118' ' ' THR . 35.2 p -132.21 36.75 3.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.422 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.5 ptmt -175.62 150.2 1.14 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -62.3 166.5 12.87 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.313 3.342 . . . . 0.0 109.61 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 5.1 t -53.97 -33.34 56.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 110.407 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' HEC . . . . . 0.668 ' CMA' ' CZ ' ' A' ' 92' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 82' ' ' PHE . 2.1 t70 . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.416 HG13 ' NH2' ' A' ' 76' ' ' ARG . 53.6 t -75.91 -54.9 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 48.6 m -57.6 -30.42 65.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.378 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.502 ' HB3' ' CG1' ' A' ' 85' ' ' ILE . 0.6 OUTLIER -78.07 -47.41 18.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.506 ' O ' HG23 ' A' ' 9' ' ' VAL . . . -57.01 -48.22 79.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -64.17 -34.96 79.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 110.328 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.8 tptp -63.93 -49.37 72.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.347 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.642 HD21 HG23 ' A' ' 85' ' ' ILE . 10.6 mt -52.31 -50.11 62.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.507 HG21 HD21 ' A' ' 117' ' ' LEU . 59.5 t -55.88 -56.51 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -63.88 -10.35 20.25 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.862 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.421 ' HG3' HD12 ' A' ' 15' ' ' ILE . 23.1 tptt -95.33 -73.81 0.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.755 ' CB ' ' HB2' ' A' ' 110' ' ' ALA . 73.9 m-85 -48.45 -23.72 1.04 Allowed 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.979 -1.009 . . . . 0.0 109.785 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.456 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 54.7 m -77.31 -53.05 8.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.108 . . . . 0.0 110.363 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.409 ' O ' ' N ' ' A' ' 18' ' ' SER . 2.3 t30 -56.58 -56.01 26.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.421 HD12 ' HG3' ' A' ' 11' ' ' LYS . 3.7 mt -47.59 -50.11 9.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.2 -46.97 87.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.27 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.463 ' ND1' ' O ' ' A' ' 23' ' ' TYR . 71.0 t60 -62.7 -31.5 72.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.656 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 14' ' ' ASN . 42.4 t -71.64 -18.47 62.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 110.055 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -100.53 -24.53 14.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.423 ' ND2' ' HG2' ' A' ' 22' ' ' MET . 0.1 OUTLIER -146.65 114.51 4.4 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -78.78 42.92 1.35 Allowed 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 124.291 3.328 . . . . 0.0 109.585 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.423 ' HG2' ' ND2' ' A' ' 20' ' ' ASN . 4.3 ptt? -145.45 34.33 1.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 111.027 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.463 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 63.3 t80 -153.67 111.4 3.53 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.001 -1.0 . . . . 0.0 109.818 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -91.64 -48.76 6.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.636 ' HB1' ' CD ' ' A' ' 26' ' ' PRO . . . -167.01 174.76 2.4 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.636 ' CD ' ' HB1' ' A' ' 25' ' ' ALA . 7.1 Cg_exo -74.8 -169.16 0.58 Allowed 'Trans proline' 0 N--CA 1.448 -1.193 0 C-N-CA 124.286 3.324 . . . . 0.0 109.569 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.98 22.65 0.57 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.015 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.405 ' HB ' HG21 ' A' ' 118' ' ' THR . 37.8 pt 42.86 36.09 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.352 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.55 HG22 ' O ' ' A' ' 29' ' ' THR . 2.8 m -138.42 11.31 2.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.433 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.29 -33.34 5.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.596 ' O ' ' CD2' ' A' ' 115' ' ' TYR . . . -75.87 56.75 3.08 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.539 1.149 . . . . 0.0 110.96 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.77 -66.72 0.4 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 0.771 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 12.9 mt -63.34 -49.91 80.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.37 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.623 ' CE2' ' OE1' ' A' ' 108' ' ' GLU . 38.4 t80 -56.35 -20.31 18.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.525 ' CE2' ' HD3' ' A' ' 57' ' ' PRO . 86.6 t80 -109.14 5.91 24.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.944 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.41 ' OD1' ' O ' ' A' ' 35' ' ' PHE . 75.3 m-20 -140.21 23.23 2.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.25 105.1 15.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.315 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -57.64 93.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.566 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 24.5 p90 -98.17 163.59 12.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.4 tttm -107.89 142.56 37.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.459 HG23 ' O ' ' A' ' 45' ' ' LYS . 21.5 p -97.52 153.97 38.14 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.43 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.777 ' HG3' ' HA3' ' A' ' 101' ' ' GLY . 60.2 Cg_endo -64.22 -8.17 15.8 Favored 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.271 3.314 . . . . 0.0 109.621 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.8 p -103.17 34.31 2.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.967 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 40.17 79.2 0.05 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.509 1.13 . . . . 0.0 110.993 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.459 ' O ' HG23 ' A' ' 41' ' ' THR . 7.7 tttm 178.44 105.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.771 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.76 152.63 35.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.42 1.075 . . . . 0.0 110.309 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -164.23 178.98 7.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.566 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -158.03 155.26 29.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.53 ' O ' ' HB2' ' A' ' 53' ' ' HIS . 60.8 m -68.91 -10.35 56.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 108.28 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.458 ' HB1' ' HA ' ' A' ' 55' ' ' ASN . . . -106.61 8.72 31.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.2 p -75.79 -37.26 59.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.005 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 28.6 m -113.13 -42.54 3.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 108.303 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.53 ' HB2' ' O ' ' A' ' 49' ' ' CYS . 66.6 m-70 -84.56 12.52 6.88 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.745 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.519 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 41.1 p 50.36 171.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.374 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.458 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 5.4 p30 -52.32 -21.56 3.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -136.31 126.83 16.48 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.332 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.525 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 63.4 Cg_endo -70.29 -44.23 1.82 Allowed 'Trans proline' 0 N--CA 1.447 -1.255 0 C-N-CA 124.35 3.367 . . . . 0.0 109.59 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.485 ' HA ' ' HB2' ' A' ' 74' ' ' ALA . . . -53.75 -18.8 3.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.271 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -87.11 175.7 7.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 109.338 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 77.5 t -75.92 127.85 37.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -100.64 -174.45 29.57 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.476 1.11 . . . . 0.0 110.962 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -163.25 135.7 5.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.758 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.827 ' ND2' HD11 ' A' ' 70' ' ' ILE . 90.1 m-20 -83.9 129.97 34.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 6.8 pt -84.35 6.21 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 60.5 t -87.6 -55.61 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 50.0 p -106.39 -33.78 7.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.396 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 81.88 36.07 19.93 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.469 1.106 . . . . 0.0 110.982 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.1 mmtt -81.98 -95.78 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 0.758 . . . . 0.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -178.85 123.92 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 110.294 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.827 HD11 ' ND2' ' A' ' 63' ' ' ASN . 2.7 mm -113.86 101.49 53.92 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.42 ' HB3' ' HD2' ' A' ' 72' ' ' PRO . 83.2 Cg_exo -49.83 167.38 0.2 Allowed 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.337 3.358 . . . . 0.0 109.583 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.42 ' HD2' ' HB3' ' A' ' 71' ' ' PRO . 68.7 Cg_exo -37.58 135.31 0.49 Allowed 'Trans proline' 0 N--CA 1.447 -1.246 0 C-N-CA 124.275 3.317 . . . . 0.0 109.62 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.534 HD11 HBA2 ' A' ' 125' ' ' HEC . 11.6 tp -91.61 -21.62 20.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.656 ' HB3' ' HB ' ' A' ' 77' ' ' VAL . . . -36.8 98.5 0.16 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.923 ' HD3' HD12 ' A' ' 116' ' ' LEU . 34.3 Cg_exo -61.27 -11.81 20.82 Favored 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.273 3.315 . . . . 0.0 109.621 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.416 ' NH2' HG13 ' A' ' 2' ' ' VAL . 7.0 ttm180 -101.07 -47.96 4.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.656 ' HB ' ' HB3' ' A' ' 74' ' ' ALA . 37.4 t -49.14 -42.45 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.543 ' OD1' HG12 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -107.54 115.75 30.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.125 . . . . 0.0 109.333 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.17 -10.7 24.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 110.407 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.4 mtpt -101.08 35.93 2.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.262 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.604 ' O ' ' CD1' ' A' ' 82' ' ' PHE . 0.8 OUTLIER -147.01 43.06 1.14 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 110.343 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.642 ' CD1' ' HB3' ' A' ' 75' ' ' PRO . 0.3 OUTLIER 162.05 39.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 111.034 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.43 HG22 ' O ' ' A' ' 83' ' ' THR . 64.2 m -111.85 49.91 0.87 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.36 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 63.7 t0 177.45 71.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.642 HG23 HD21 ' A' ' 8' ' ' LEU . 20.7 mt -40.36 -45.29 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -49.47 -54.17 19.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -93.04 81.98 4.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER 178.65 -36.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.12 -37.72 53.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 110.269 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -75.32 -45.54 38.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -57.41 -35.06 69.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 0.0 110.304 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.697 ' CZ ' ' CMA' ' A' ' 125' ' ' HEC . 0.1 OUTLIER -66.5 -22.98 66.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 111.003 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.628 HG23 ' OD2' ' A' ' 103' ' ' ASP . 1.2 m -90.0 -38.11 13.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.37 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.6 mmmt -71.15 -30.36 66.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.517 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.4 t60 -68.22 -60.0 2.8 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 114.955 -1.021 . . . . 0.0 109.771 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 102' ' ' ALA . 10.7 m -55.21 -21.8 15.32 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.574 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -85.69 -11.39 53.86 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.435 ' O ' HD13 ' A' ' 99' ' ' ILE . 2.3 t0 -119.05 9.77 11.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.423 1.077 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.517 HG13 ' CE1' ' A' ' 95' ' ' HIS . 48.8 mm -126.53 -46.69 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.44 HD12 ' SG ' ' A' ' 104' ' ' CYS . 70.5 mt -101.95 -32.37 10.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.777 ' HA3' ' HG3' ' A' ' 42' ' ' PRO . . . 107.72 13.53 20.04 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.547 1.154 . . . . 0.0 110.966 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 96' ' ' CYS . . . -166.04 -173.17 2.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 0.762 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.628 ' OD2' HG23 ' A' ' 93' ' ' THR . 6.0 t0 -91.71 124.7 36.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.44 ' SG ' HD12 ' A' ' 100' ' ' LEU . 35.8 m -59.44 162.95 4.39 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.585 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.472 ' O ' ' HG3' ' A' ' 108' ' ' GLU . 80.8 p -74.51 149.92 86.62 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.991 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -65.92 -8.29 19.38 Favored 'Trans proline' 0 N--CA 1.448 -1.177 0 C-N-CA 124.262 3.308 . . . . 0.0 109.597 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 64.6 p -92.97 -44.26 8.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.022 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.623 ' OE1' ' CE2' ' A' ' 34' ' ' PHE . 1.0 OUTLIER -65.69 -27.12 68.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.752 ' O ' HD12 ' A' ' 113' ' ' ILE . 0.3 OUTLIER -63.69 -60.05 3.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.755 ' HB2' ' CB ' ' A' ' 12' ' ' TYR . . . -55.72 -36.57 67.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' A' ' 114' ' ' ALA . 7.1 t-20 -56.82 -68.52 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.549 ' CE2' ' HG ' ' A' ' 116' ' ' LEU . 52.2 t80 -44.16 -44.75 7.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.896 ' O ' HD23 ' A' ' 117' ' ' LEU . 1.6 mt -55.41 -37.25 44.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.256 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 117' ' ' LEU . . . -65.47 -74.26 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.596 ' CD2' ' O ' ' A' ' 31' ' ' GLY . 0.2 OUTLIER -40.72 -44.64 2.24 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.841 -179.89 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.923 HD12 ' HD3' ' A' ' 75' ' ' PRO . 3.5 mm? -61.4 -44.97 96.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.896 HD23 ' O ' ' A' ' 113' ' ' ILE . 1.0 OUTLIER -91.78 33.59 1.03 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.405 HG21 ' HB ' ' A' ' 28' ' ' ILE . 1.4 m -136.62 -67.7 0.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.404 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -80.86 62.71 4.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 110.311 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 68.3 p -84.0 67.06 9.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 110.45 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.21 131.52 0.81 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.098 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -44.98 170.23 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.347 3.365 . . . . 0.0 109.568 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 3.3 m -95.37 -56.74 2.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.409 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 15.7 mtmt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.143 . . . . 0.0 109.31 -179.985 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' HEC . . . . . 0.697 ' CMA' ' CZ ' ' A' ' 92' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.472 ' CG ' ' N ' ' A' ' 2' ' ' VAL . 8.2 p-10 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.472 ' N ' ' CG ' ' A' ' 1' ' ' ASP . 65.8 t -44.23 -34.17 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.2 m -42.58 -32.74 0.6 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.413 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.523 ' N ' ' ND2' ' A' ' 4' ' ' ASN . 0.3 OUTLIER -80.14 -48.95 12.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.556 ' O ' HG23 ' A' ' 9' ' ' VAL . . . -48.92 -49.32 40.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 -66.52 -30.45 70.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.297 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.744 ' HE3' HG21 ' A' ' 85' ' ' ILE . 0.1 OUTLIER -70.36 -46.36 64.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.445 HD22 ' CE2' ' A' ' 12' ' ' TYR . 12.3 mt -55.88 -46.7 78.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 5' ' ' ALA . 91.5 t -56.94 -55.62 19.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -67.52 -6.09 18.16 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.855 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.404 ' CG ' ' HD3' ' A' ' 7' ' ' LYS . 1.3 mmtm -97.13 -73.67 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.733 ' HB3' ' HB2' ' A' ' 110' ' ' ALA . 84.2 m-85 -50.81 -21.72 1.81 Allowed 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.823 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.461 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 22.0 m -75.56 -47.09 28.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.388 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -61.22 -52.5 64.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.7 mt -52.64 -44.24 45.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.248 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.29 -38.53 87.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 0.0 109.306 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.46 ' ND1' ' O ' ' A' ' 23' ' ' TYR . 12.2 t60 -74.67 -29.65 61.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.14 . . . . 0.0 109.561 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 45.3 t -70.21 -6.32 33.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.999 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -114.86 -43.18 3.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.402 ' OD1' ' HD2' ' A' ' 21' ' ' PRO . 62.2 t-20 -126.65 118.95 22.78 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.402 ' HD2' ' OD1' ' A' ' 20' ' ' ASN . 98.1 Cg_endo -78.87 38.81 0.74 Allowed 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.273 3.315 . . . . 0.0 109.62 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -141.26 34.22 1.7 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 111.002 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.46 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 14.2 t80 -139.61 108.62 6.02 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.811 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -96.61 -48.02 5.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -164.13 153.77 12.34 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -51.33 176.14 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.363 3.375 . . . . 0.0 109.621 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.1 20.58 2.1 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 0.0 110.046 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 32.5 pt 40.8 47.65 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.243 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 30' ' ' ASP . 93.5 m -127.51 -70.39 0.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 110.414 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.3 OUTLIER -39.9 -33.29 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.583 ' O ' ' CD2' ' A' ' 115' ' ' TYR . . . -76.17 58.55 3.19 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.544 1.153 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.444 ' HG2' ' CZ ' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -157.69 -63.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 0.78 . . . . 0.0 109.348 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 43.7 mt -72.32 -47.78 51.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.595 ' CD1' ' OE1' ' A' ' 108' ' ' GLU . 25.3 t80 -55.34 -21.77 16.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 111.007 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.579 ' CD1' ' HB2' ' A' ' 49' ' ' CYS . 87.8 t80 -106.9 8.94 30.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 111.036 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -145.86 26.73 1.23 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 39' ' ' PHE . 2.6 tpm_? -108.03 97.47 7.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.277 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -49.31 94.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.572 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 24.7 p90 -100.79 164.17 11.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -104.97 148.79 26.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 23.6 p -106.44 153.18 40.66 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.353 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.822 ' HG3' ' HA3' ' A' ' 101' ' ' GLY . 95.9 Cg_endo -69.89 -4.08 13.4 Favored 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.298 3.332 . . . . 0.0 109.563 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.492 ' OG ' ' CE ' ' A' ' 45' ' ' LYS . 23.6 p -87.46 -11.37 49.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.972 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.456 ' O ' ' CD ' ' A' ' 45' ' ' LYS . . . 91.35 67.95 1.16 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.471 1.107 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.492 ' CE ' ' OG ' ' A' ' 43' ' ' SER . 0.0 OUTLIER 172.41 146.19 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 0.723 . . . . 0.0 109.266 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.7 154.27 19.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.346 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -158.44 -169.23 2.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.577 ' O ' HMC3 ' A' ' 125' ' ' HEC . . . -169.71 154.13 5.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.254 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.579 ' HB2' ' CD1' ' A' ' 35' ' ' PHE . 29.8 m -70.56 -9.0 55.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 108.317 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.444 ' O ' ' HA ' ' A' ' 54' ' ' THR . . . -105.03 2.76 29.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.414 ' HB2' ' O ' ' A' ' 48' ' ' ALA . 0.3 OUTLIER -82.33 -17.39 45.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.005 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 64.8 m -124.97 -46.07 1.85 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 108.325 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.498 ' O ' ' OG1' ' A' ' 54' ' ' THR . 66.6 m-70 -91.96 17.23 9.57 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.034 -0.985 . . . . 0.0 109.741 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.498 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 45.2 p 49.75 172.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.411 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -53.59 -23.96 12.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.346 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 19.1 t30 -131.6 123.96 19.69 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.359 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.66 ' CB ' HD23 ' A' ' 73' ' ' LEU . 57.7 Cg_endo -69.66 -36.86 10.27 Favored 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.341 3.361 . . . . 0.0 109.603 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.586 ' HA ' ' HB2' ' A' ' 74' ' ' ALA . . . -61.57 -13.15 19.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -93.11 174.34 7.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.7 t -75.43 121.81 27.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.352 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.494 ' HA2' HG23 ' A' ' 54' ' ' THR . . . -91.69 -174.63 42.92 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.2 ttmt -160.35 133.42 6.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 0.764 . . . . 0.0 109.306 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.963 ' ND2' HD11 ' A' ' 70' ' ' ILE . 83.2 m-20 -85.86 129.99 34.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 6.6 pt -83.93 5.91 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 0.0 109.27 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 79.4 t -86.22 -55.02 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 71.9 p -109.09 -34.98 6.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.571 1.17 . . . . 0.0 110.389 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 82.05 35.86 20.03 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.5 mmtm -81.65 -93.99 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 0.769 . . . . 0.0 109.306 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -178.51 122.46 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 110.284 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.963 HD11 ' ND2' ' A' ' 63' ' ' ASN . 3.0 mm -107.18 106.85 59.43 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.404 ' HB3' ' HD2' ' A' ' 72' ' ' PRO . 71.0 Cg_exo -50.31 165.84 0.34 Allowed 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 124.323 3.349 . . . . 0.0 109.605 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.446 ' O ' ' ND2' ' A' ' 78' ' ' ASN . 1.6 Cg_endo -42.68 125.56 3.85 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.328 3.352 . . . . 0.0 109.576 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.66 HD23 ' CB ' ' A' ' 57' ' ' PRO . 8.5 tp -76.96 -29.84 55.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.667 ' HB3' ' HB ' ' A' ' 77' ' ' VAL . . . -39.12 99.6 0.2 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.613 ' HB3' ' CD1' ' A' ' 82' ' ' PHE . 24.8 Cg_exo -63.12 -14.72 43.45 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.289 3.326 . . . . 0.0 109.573 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -97.76 -44.79 6.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 110.292 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.667 ' HB ' ' HB3' ' A' ' 74' ' ' ALA . 24.2 t -53.73 -41.3 46.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 72' ' ' PRO . 0.4 OUTLIER -95.07 136.54 35.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.6 p -84.06 -5.97 59.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.362 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.09 40.52 1.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.487 ' CB ' ' HA ' ' A' ' 75' ' ' PRO . 48.2 mmt-85 -142.57 168.2 20.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.263 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.613 ' CD1' ' HB3' ' A' ' 75' ' ' PRO . 2.9 m-30 37.88 53.77 1.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.988 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 90.8 m -100.89 -60.89 1.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.395 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -86.86 106.62 17.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.744 HG21 ' HE3' ' A' ' 7' ' ' LYS . 8.6 mt -64.94 -56.09 17.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -40.04 -48.15 2.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.1 mttp -94.18 78.78 4.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER 175.68 -34.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 90' ' ' ASP . 0.2 OUTLIER -66.15 -29.76 70.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.401 ' N ' ' HG3' ' A' ' 89' ' ' GLU . 4.1 m-20 -93.95 -44.75 7.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.44 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 3.5 mm-40 -52.93 -19.83 2.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.09 . . . . 0.0 110.323 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.655 ' CZ ' ' CMA' ' A' ' 125' ' ' HEC . 0.1 OUTLIER -84.15 -26.29 28.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.949 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.611 HG23 ' CG ' ' A' ' 103' ' ' ASP . 1.1 m -88.9 -37.17 15.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 0.0 110.429 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.77 -28.61 66.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.566 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.4 t60 -67.64 -59.09 3.62 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 115.01 -0.996 . . . . 0.0 109.786 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.417 ' C ' ' O ' ' A' ' 102' ' ' ALA . 4.0 m -56.77 -23.89 46.28 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.558 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.431 ' HA ' ' N ' ' A' ' 102' ' ' ALA . 1.9 m-80 -81.16 -13.0 59.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -117.38 4.81 12.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.566 HG13 ' CE1' ' A' ' 95' ' ' HIS . 37.3 mm -121.11 -48.2 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.6 HD12 ' SG ' ' A' ' 104' ' ' CYS . 42.4 mt -101.03 -25.83 13.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 0.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.822 ' HA3' ' HG3' ' A' ' 42' ' ' PRO . . . 100.66 12.05 39.05 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.507 1.13 . . . . 0.0 110.987 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.431 ' N ' ' HA ' ' A' ' 97' ' ' ASN . . . -163.9 -171.25 2.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 0.774 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.611 ' CG ' HG23 ' A' ' 93' ' ' THR . 13.9 t0 -93.42 124.18 37.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.6 ' SG ' HD12 ' A' ' 100' ' ' LEU . 55.6 m -63.35 161.61 13.75 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.57 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.501 ' OG ' ' CG ' ' A' ' 108' ' ' GLU . 60.3 p -75.45 145.8 79.95 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 110.0 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -61.35 -12.29 23.22 Favored 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.283 3.322 . . . . 0.0 109.583 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 59.6 p -90.53 -45.19 9.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.042 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.595 ' OE1' ' CD1' ' A' ' 34' ' ' PHE . 3.4 mm-40 -62.29 -16.94 57.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.312 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.454 ' C ' ' N ' ' A' ' 111' ' ' ASN . 3.6 mttp -91.97 -64.19 1.14 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.265 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.733 ' HB2' ' HB3' ' A' ' 12' ' ' TYR . . . -42.53 -27.22 0.15 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.454 ' N ' ' C ' ' A' ' 109' ' ' LYS . 0.3 OUTLIER -81.07 -59.17 2.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.706 ' CE2' HD22 ' A' ' 116' ' ' LEU . 86.2 t80 -41.13 -46.78 3.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.532 HG22 HG22 ' A' ' 9' ' ' VAL . 2.0 mt -56.85 -46.61 83.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 111' ' ' ASN . . . -51.63 -68.17 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.583 ' CD2' ' O ' ' A' ' 31' ' ' GLY . 0.4 OUTLIER -47.38 -27.75 1.78 Allowed 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.852 -179.921 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.706 HD22 ' CE2' ' A' ' 112' ' ' PHE . 1.2 tp -77.28 -40.03 45.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.523 ' CD2' ' HB1' ' A' ' 5' ' ' ALA . 7.2 mt -66.54 -37.45 85.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -76.25 -60.46 2.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.39 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.469 ' O ' ' CG ' ' A' ' 119' ' ' GLU . 4.7 pt-20 -66.74 118.95 11.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 110.253 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 73.0 p -149.93 35.4 0.68 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.4 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 2.6 mtpm? -134.85 142.55 42.7 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.339 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -80.3 167.39 19.52 Favored 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.353 3.368 . . . . 0.0 109.572 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . 0.683 ' O ' HG22 ' A' ' 123' ' ' THR . 5.1 m -153.26 44.95 0.64 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.378 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' HEC . . . . . 0.683 HMB1 HBB3 ' A' ' 125' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.725 ' C ' HG23 ' A' ' 2' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.725 HG23 ' C ' ' A' ' 1' ' ' ASP . 3.4 t 87.04 -39.82 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.0 m -41.56 -39.49 1.6 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 110.422 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.587 ' HB3' HD11 ' A' ' 85' ' ' ILE . 0.2 OUTLIER -81.69 -49.62 10.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.313 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.539 ' O ' HG23 ' A' ' 9' ' ' VAL . . . -48.13 -46.83 34.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.4 ' OE2' ' O ' ' A' ' 6' ' ' GLU . 7.4 tp10 -53.6 -44.36 69.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.269 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.575 ' HE3' HG21 ' A' ' 85' ' ' ILE . 0.1 OUTLIER -57.26 -56.32 23.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.3 mt -45.68 -47.25 15.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.802 HG21 HD21 ' A' ' 117' ' ' LEU . 58.1 t -58.5 -51.56 70.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -71.89 -2.18 16.98 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.84 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.7 tptt -101.28 -73.23 0.65 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.781 ' HB2' ' HB2' ' A' ' 110' ' ' ALA . 82.2 m-85 -50.64 -22.15 1.91 Allowed 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 114.961 -1.018 . . . . 0.0 109.845 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.504 ' CG2' ' O ' ' A' ' 24' ' ' GLU . 27.9 m -76.3 -47.04 25.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.426 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -60.59 -53.34 58.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.9 mt -50.39 -50.67 20.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.21 -53.42 56.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.266 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -58.91 -32.65 69.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.566 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 36.0 t -72.31 -12.77 61.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 110.009 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -108.14 -39.88 5.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.25 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 42.7 m-20 -135.66 94.66 14.81 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.327 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -50.43 -20.59 6.19 Favored 'Trans proline' 0 N--CA 1.447 -1.214 0 C-N-CA 124.349 3.366 . . . . 0.0 109.567 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.42 ' HG3' ' N ' ' A' ' 23' ' ' TYR . 8.0 ptm -70.34 -24.74 63.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.094 . . . . 0.0 111.027 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.42 ' N ' ' HG3' ' A' ' 22' ' ' MET . 46.4 t80 -95.8 123.57 39.44 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.811 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.504 ' O ' ' CG2' ' A' ' 13' ' ' THR . 2.9 mm-40 -116.01 -42.83 3.03 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 110.284 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.628 ' HB1' ' CD ' ' A' ' 26' ' ' PRO . . . -161.67 174.48 3.72 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.628 ' CD ' ' HB1' ' A' ' 25' ' ' ALA . 6.7 Cg_exo -75.3 -179.81 5.41 Favored 'Trans proline' 0 N--CA 1.447 -1.257 0 C-N-CA 124.33 3.353 . . . . 0.0 109.631 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.4 13.41 2.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.006 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.41 HG21 HG21 ' A' ' 118' ' ' THR . 32.0 pt 41.98 50.32 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.35 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.7 HG22 ' O ' ' A' ' 29' ' ' THR . 3.9 m -162.56 37.44 0.11 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 110.379 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -143.26 -49.27 0.32 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.474 ' O ' ' N ' ' A' ' 35' ' ' PHE . . . -42.64 -49.29 5.94 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.449 1.093 . . . . 0.0 111.016 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.39 -72.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 0.754 . . . . 0.0 109.321 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.9 mt -50.01 -44.09 21.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -64.91 -14.18 59.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 111.018 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.544 ' CD1' ' CB ' ' A' ' 49' ' ' CYS . 76.9 t80 -110.92 6.75 21.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.961 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -140.28 23.04 2.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -95.77 103.48 15.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -58.04 87.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.569 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 19.1 p90 -100.51 154.77 18.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.148 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.9 tttm -104.52 139.74 38.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 109.315 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.402 ' HB ' ' HD2' ' A' ' 42' ' ' PRO . 58.6 p -82.37 153.66 68.7 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.406 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.814 ' HG3' ' HA3' ' A' ' 101' ' ' GLY . 60.3 Cg_endo -64.27 -7.6 14.36 Favored 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 124.268 3.312 . . . . 0.0 109.637 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.0 p -101.78 29.66 4.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.026 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.405 ' O ' ' HB2' ' A' ' 45' ' ' LYS . . . 51.45 77.82 0.12 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 44' ' ' GLY . 13.3 ttpp -176.6 134.81 0.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 0.751 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.471 ' CD ' ' N ' ' A' ' 47' ' ' ALA . 4.4 tm-20 -87.96 135.7 33.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.43 1.081 . . . . 0.0 110.27 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.471 ' N ' ' CD ' ' A' ' 46' ' ' GLU . . . -151.75 176.35 11.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.569 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -162.02 152.91 17.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.544 ' CB ' ' CD1' ' A' ' 35' ' ' PHE . 49.2 m -63.6 -13.27 40.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.077 . . . . 0.0 108.277 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.423 ' HA ' ' O ' ' A' ' 54' ' ' THR . . . -102.08 5.94 40.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.41 ' OG ' ' CMC' ' A' ' 125' ' ' HEC . 80.6 p -79.39 -29.3 42.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.044 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 92.6 m -117.78 -48.32 2.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 108.287 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.936 ' CE1' HD22 ' A' ' 73' ' ' LEU . 85.7 m-70 -83.23 12.83 4.76 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.739 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.537 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 57.2 p 51.02 170.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.356 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -51.36 -25.44 6.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.244 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.4 ' ND2' ' O ' ' A' ' 121' ' ' LYS . 13.7 t30 -130.64 125.95 21.72 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.519 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 73.6 Cg_endo -71.2 -39.43 3.95 Favored 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.313 3.342 . . . . 0.0 109.575 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.74 ' HA ' ' HB2' ' A' ' 74' ' ' ALA . . . -58.71 -15.84 13.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -90.09 173.44 8.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 78.8 t -75.92 130.18 36.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.105 . . . . 0.0 109.341 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.404 ' HA2' HG23 ' A' ' 54' ' ' THR . . . -101.7 -174.48 28.2 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.532 1.145 . . . . 0.0 111.012 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.0 tttm -160.57 136.06 8.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 0.754 . . . . 0.0 109.299 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.903 ' ND2' HD11 ' A' ' 70' ' ' ILE . 87.5 m-20 -85.08 127.16 34.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.9 pt -82.82 5.58 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 74.6 t -86.29 -52.94 11.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 75.4 p -109.76 -33.69 6.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.391 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 81.21 35.88 22.57 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.538 1.149 . . . . 0.0 111.018 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 45.6 mttt -82.28 -94.87 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 0.782 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -179.07 124.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 110.299 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.903 HD11 ' ND2' ' A' ' 63' ' ' ASN . 2.8 mm -110.05 102.92 52.41 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.446 ' HB3' ' HD2' ' A' ' 72' ' ' PRO . 76.8 Cg_exo -52.67 167.36 0.62 Allowed 'Trans proline' 0 N--CA 1.447 -1.264 0 C-N-CA 124.294 3.329 . . . . 0.0 109.62 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.446 ' HD2' ' HB3' ' A' ' 71' ' ' PRO . 1.2 Cg_endo -42.47 128.16 4.58 Favored 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.298 3.332 . . . . 0.0 109.601 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.936 HD22 ' CE1' ' A' ' 53' ' ' HIS . 5.8 tp -98.7 -22.94 15.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.74 ' HB2' ' HA ' ' A' ' 58' ' ' ALA . . . -36.91 98.59 0.16 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.639 ' HG2' HD23 ' A' ' 116' ' ' LEU . 17.4 Cg_exo -66.48 55.7 0.43 Allowed 'Trans proline' 0 N--CA 1.447 -1.214 0 C-N-CA 124.294 3.329 . . . . 0.0 109.613 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 -170.14 -52.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 110.321 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 20.1 t -49.94 -40.11 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.474 ' N ' ' OD1' ' A' ' 78' ' ' ASN . 0.2 OUTLIER -99.88 144.83 28.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.283 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 20.3 p -86.55 2.25 48.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.414 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.3 mtmp? -112.86 41.85 1.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 62.2 mmt-85 -144.87 156.06 43.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.125 . . . . 0.0 110.23 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.616 ' CD1' ' HB3' ' A' ' 75' ' ' PRO . 0.9 OUTLIER 47.59 41.35 13.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 111.035 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.523 HG22 ' O ' ' A' ' 83' ' ' THR . 40.5 m -116.63 47.32 1.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 110.401 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -174.99 67.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.587 HD11 ' HB3' ' A' ' 4' ' ' ASN . 90.9 mt -41.08 -50.32 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 85' ' ' ILE . 8.7 m-20 -39.1 -57.57 1.27 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.47 95.73 6.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER 174.17 -34.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -68.3 -56.1 9.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.336 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -67.58 -45.31 75.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 4.4 mm-40 -52.49 -19.41 2.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.272 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.721 ' CZ ' ' CMA' ' A' ' 125' ' ' HEC . 0.1 OUTLIER -86.71 -26.25 24.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.446 HG23 ' CG ' ' A' ' 103' ' ' ASP . 1.0 OUTLIER -88.85 -37.42 15.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.406 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 39.6 mmtt -68.48 -32.05 71.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.58 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.2 t60 -66.25 -59.96 3.24 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.759 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.433 ' C ' ' O ' ' A' ' 102' ' ' ALA . 10.0 m -54.83 -23.53 18.77 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.556 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.454 ' HA ' ' N ' ' A' ' 102' ' ' ALA . 1.6 m-80 -80.84 -12.67 59.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -116.49 3.84 13.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.58 HG13 ' CE1' ' A' ' 95' ' ' HIS . 39.3 mm -119.18 -51.24 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.523 HD12 ' SG ' ' A' ' 104' ' ' CYS . 75.1 mt -99.38 -22.66 15.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.814 ' HA3' ' HG3' ' A' ' 42' ' ' PRO . . . 99.24 10.16 49.18 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.454 ' N ' ' HA ' ' A' ' 97' ' ' ASN . . . -164.33 -177.31 4.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 0.75 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.446 ' CG ' HG23 ' A' ' 93' ' ' THR . 21.7 t0 -86.01 127.09 34.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.082 . . . . 0.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.523 ' SG ' HD12 ' A' ' 100' ' ' LEU . 48.4 m -62.17 161.85 10.48 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.944 -1.026 . . . . 0.0 109.614 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 27.8 t -71.01 141.93 87.16 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.959 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -59.5 -19.31 51.35 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.289 3.326 . . . . 0.0 109.587 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 77.8 p -86.75 -38.68 16.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.984 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -71.81 -6.26 40.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.138 . . . . 0.0 110.302 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.572 ' HD2' ' CD1' ' A' ' 92' ' ' PHE . 0.8 OUTLIER -88.3 -63.58 1.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.17 . . . . 0.0 109.301 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.781 ' HB2' ' HB2' ' A' ' 12' ' ' TYR . . . -54.89 -27.09 40.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -67.53 -50.65 57.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.425 ' CE2' HD22 ' A' ' 116' ' ' LEU . 39.5 t80 -63.04 -45.61 91.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.533 HG22 HG22 ' A' ' 9' ' ' VAL . 2.0 mt -54.2 -41.54 52.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 117' ' ' LEU . . . -63.86 -65.2 0.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.431 ' O ' ' N ' ' A' ' 119' ' ' GLU . 0.9 OUTLIER -45.24 -37.7 4.88 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.81 -179.892 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.639 HD23 ' HG2' ' A' ' 75' ' ' PRO . 1.0 OUTLIER -71.87 -37.15 70.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.901 ' O ' HD12 ' A' ' 117' ' ' LEU . 0.9 OUTLIER -91.4 20.65 5.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.41 HG21 HG21 ' A' ' 28' ' ' ILE . 53.9 m -140.74 -68.39 0.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.387 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 115' ' ' TYR . 0.9 OUTLIER -103.4 84.24 2.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.15 . . . . 0.0 110.356 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.673 ' O ' HG23 ' A' ' 120' ' ' THR . 15.0 t -138.95 64.09 1.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.39 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.4 ' O ' ' ND2' ' A' ' 56' ' ' ASN . 5.6 mtpm? -125.0 149.67 64.06 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -74.39 166.54 29.23 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.349 3.366 . . . . 0.0 109.583 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 14.7 m -109.52 -60.86 1.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 110.429 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' HEC . . . . . 0.721 ' CMA' ' CZ ' ' A' ' 92' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.644 ' C ' HG23 ' A' ' 2' ' ' VAL . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.644 HG23 ' C ' ' A' ' 1' ' ' ASP . 6.0 t 86.41 -42.69 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 51.8 m -66.7 -13.66 61.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.376 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.555 ' HA ' HD11 ' A' ' 85' ' ' ILE . 0.2 OUTLIER -81.16 -49.55 10.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.714 ' HB1' HD22 ' A' ' 117' ' ' LEU . . . -53.55 -47.03 70.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -51.89 -54.31 30.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.304 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 11' ' ' LYS . 1.5 mmtm -51.22 -52.36 45.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.662 HD21 HG23 ' A' ' 85' ' ' ILE . 11.5 mt -47.42 -49.06 25.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.459 ' O ' ' CB ' ' A' ' 13' ' ' THR . 93.4 t -62.93 -50.98 77.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -64.26 -11.5 32.12 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 114.942 -1.026 . . . . 0.0 109.817 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 7' ' ' LYS . 0.5 OUTLIER -98.4 -73.33 0.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.729 ' CB ' ' HB2' ' A' ' 110' ' ' ALA . 51.4 m-85 -45.76 -24.24 0.35 Allowed 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.825 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.459 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 56.0 m -78.6 -52.02 9.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.357 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -57.91 -54.8 42.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 109.302 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.8 mt -48.09 -49.33 11.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.457 ' O ' ' ND2' ' A' ' 20' ' ' ASN . . . -60.19 -50.4 73.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.459 ' ND1' ' O ' ' A' ' 23' ' ' TYR . 66.8 t60 -58.37 -29.21 65.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.552 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.8 t -71.5 -23.21 61.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 1.166 . . . . 0.0 110.016 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -89.39 -26.59 20.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 16' ' ' ALA . 0.2 OUTLIER -153.41 126.39 4.11 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -82.98 43.79 1.55 Allowed 'Trans proline' 0 N--CA 1.447 -1.209 0 C-N-CA 124.321 3.347 . . . . 0.0 109.627 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.437 ' CG ' ' OD1' ' A' ' 20' ' ' ASN . 3.0 ptt? -144.35 34.53 1.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 111.008 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.459 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 74.1 t80 -154.82 109.29 2.98 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.858 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.423 ' O ' ' CG2' ' A' ' 13' ' ' THR . 3.0 mm-40 -91.17 -48.99 6.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.32 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.643 ' HB1' ' CD ' ' A' ' 26' ' ' PRO . . . -165.79 175.29 2.43 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.643 ' CD ' ' HB1' ' A' ' 25' ' ' ALA . 11.7 Cg_exo -72.83 -172.28 0.93 Allowed 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 124.307 3.338 . . . . 0.0 109.593 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.495 ' O ' ' CG1' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -146.6 18.51 1.32 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.434 1.084 . . . . 0.0 110.009 -179.916 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.495 ' CG1' ' O ' ' A' ' 27' ' ' SER . 47.4 pt 48.1 32.52 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 67.6 m -136.04 9.74 3.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.402 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -114.66 -35.01 5.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.9 53.54 3.73 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.5 1.125 . . . . 0.0 111.043 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.448 ' HG2' ' CZ ' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -134.65 -65.58 0.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 0.733 . . . . 0.0 109.322 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.405 ' O ' ' N ' ' A' ' 37' ' ' ARG . 60.1 mt -67.81 -44.36 85.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -54.4 -22.62 12.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.994 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.577 ' CD1' ' CB ' ' A' ' 49' ' ' CYS . 88.1 t80 -108.02 6.15 26.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.414 ' OD1' ' O ' ' A' ' 35' ' ' PHE . 83.5 m-20 -142.35 25.28 1.89 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 39' ' ' PHE . 15.5 ttp85 -103.83 94.46 5.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.342 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.413 ' CG ' ' HG2' ' A' ' 46' ' ' GLU . 21.2 ttmm -47.82 94.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.555 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 32.1 p90 -103.38 160.78 14.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.13 133.68 51.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.345 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.415 ' HB ' ' HD2' ' A' ' 42' ' ' PRO . 46.9 p -78.58 153.92 78.67 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 110.365 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.864 ' HG3' ' HA3' ' A' ' 101' ' ' GLY . 73.2 Cg_endo -66.28 -5.21 12.03 Favored 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 124.327 3.351 . . . . 0.0 109.576 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.8 p -101.21 12.66 37.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.996 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.87 77.03 0.42 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.0 tttm -176.19 135.78 0.27 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 0.755 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.413 ' HG2' ' CG ' ' A' ' 38' ' ' LYS . 3.5 tt0 -90.59 125.14 35.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 110.345 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.78 177.88 7.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.555 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -159.85 152.03 20.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.577 ' CB ' ' CD1' ' A' ' 35' ' ' PHE . 55.9 m -64.38 -11.98 38.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 108.258 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.44 ' HA ' ' O ' ' A' ' 54' ' ' THR . . . -104.39 7.45 35.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.472 ' OG ' ' CMC' ' A' ' 125' ' ' HEC . 95.5 p -78.19 -31.43 49.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.003 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 64.1 m -116.91 -45.34 2.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 108.347 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.526 ' O ' ' OG1' ' A' ' 54' ' ' THR . 72.7 m-70 -84.71 13.46 5.73 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 114.955 -1.021 . . . . 0.0 109.75 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.526 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 60.7 p 50.71 170.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 110.383 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.431 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 9.4 p30 -53.32 -24.58 12.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.254 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 14.0 t30 -130.7 124.23 20.72 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.431 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 58.4 Cg_endo -70.38 -37.94 7.06 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.327 3.351 . . . . 0.0 109.551 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.474 ' HA ' ' HB2' ' A' ' 74' ' ' ALA . . . -60.84 -14.11 19.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -91.04 173.08 8.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 109.359 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.617 HG22 ' HD3' ' A' ' 72' ' ' PRO . 53.4 t -76.6 123.58 33.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.45 ' HA2' HG23 ' A' ' 54' ' ' THR . . . -95.01 -175.94 37.93 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.495 1.122 . . . . 0.0 111.026 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.4 tttm -159.94 134.62 7.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 0.755 . . . . 0.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.907 ' ND2' HD11 ' A' ' 70' ' ' ILE . 87.5 m-20 -84.32 130.84 34.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.346 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 6.4 pt -85.97 8.69 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.335 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 53.8 t -90.75 -53.68 8.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 75.2 p -108.9 -34.25 6.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.394 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 81.94 33.83 25.86 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.503 1.127 . . . . 0.0 110.968 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.409 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 1.5 mmmt -79.13 -94.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.416 ' O ' ' HD3' ' A' ' 71' ' ' PRO . 9.6 pt-20 -179.59 124.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.259 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.907 HD11 ' ND2' ' A' ' 63' ' ' ASN . 2.5 mm -113.58 94.63 33.19 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.416 ' HD3' ' O ' ' A' ' 69' ' ' GLU . 81.2 Cg_exo -47.4 166.16 0.1 Allowed 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.337 3.358 . . . . 0.0 109.584 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.617 ' HD3' HG22 ' A' ' 60' ' ' VAL . 70.5 Cg_exo -37.51 135.4 0.47 Allowed 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.338 3.359 . . . . 0.0 109.545 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 75' ' ' PRO . 5.0 tp -97.32 -24.87 15.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.341 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.474 ' HB2' ' HA ' ' A' ' 58' ' ' ALA . . . -38.45 98.85 0.18 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.628 ' HB3' ' CD1' ' A' ' 82' ' ' PHE . 19.1 Cg_exo -65.78 55.01 0.34 Allowed 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.3 3.333 . . . . 0.0 109.611 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.532 ' CZ ' HG13 ' A' ' 2' ' ' VAL . 10.1 ttm180 -166.25 -52.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.426 HG22 ' HB ' ' A' ' 120' ' ' THR . 9.0 t -45.38 -41.98 3.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.471 ' N ' ' OD1' ' A' ' 78' ' ' ASN . 0.3 OUTLIER -96.17 153.69 17.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.6 p -82.61 -41.25 19.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.406 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.4 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 0.0 OUTLIER -81.36 51.28 1.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.4 ' HG2' ' O ' ' A' ' 80' ' ' LYS . 53.5 mmt-85 -147.6 135.77 21.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.326 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.628 ' CD1' ' HB3' ' A' ' 75' ' ' PRO . 0.5 OUTLIER 58.6 59.28 2.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 111.018 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 59.0 m -103.76 -61.53 1.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.375 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -87.6 111.8 21.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.662 HG23 HD21 ' A' ' 8' ' ' LEU . 81.3 mt -68.45 -46.82 79.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 85' ' ' ILE . 22.9 t70 -40.27 -59.93 1.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -88.55 83.49 6.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER 175.92 -33.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.25 -53.23 20.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.357 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -66.19 -46.22 78.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 3.6 mm-40 -55.65 -18.21 7.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.316 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.71 ' CZ ' ' CMA' ' A' ' 125' ' ' HEC . 0.1 OUTLIER -84.35 -30.47 25.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 111.0 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.413 HG23 ' CG ' ' A' ' 103' ' ' ASP . 1.1 m -85.7 -35.51 20.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.424 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.7 mmtm -69.14 -30.07 68.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.557 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.4 t60 -67.11 -59.43 3.46 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 115.079 -0.964 . . . . 0.0 109.755 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.438 ' C ' ' O ' ' A' ' 102' ' ' ALA . 16.1 m -54.91 -25.81 31.74 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.559 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.437 ' HA ' ' N ' ' A' ' 102' ' ' ALA . 1.8 m-20 -79.85 -12.73 59.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -116.53 2.61 13.09 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.475 1.11 . . . . 0.0 109.313 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.557 HG13 ' CE1' ' A' ' 95' ' ' HIS . 14.5 mm -117.74 -51.66 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.424 1.078 . . . . 0.0 109.342 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.409 ' O ' ' HD3' ' A' ' 42' ' ' PRO . 70.3 mt -99.45 -20.12 16.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.864 ' HA3' ' HG3' ' A' ' 42' ' ' PRO . . . 94.73 12.71 55.3 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.509 1.13 . . . . 0.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 96' ' ' CYS . . . -163.23 -175.54 4.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 0.736 . . . . 0.0 109.255 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.413 ' CG ' HG23 ' A' ' 93' ' ' THR . 29.4 t0 -89.33 127.03 35.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 44.5 m -62.73 160.63 13.93 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.563 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.471 ' HB3' ' CG ' ' A' ' 108' ' ' GLU . 27.6 t -68.84 142.87 94.09 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.056 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -60.32 -17.52 47.43 Favored 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.313 3.342 . . . . 0.0 109.604 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 61.5 p -91.24 -43.46 9.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.009 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.471 ' CG ' ' HB3' ' A' ' 105' ' ' SER . 11.7 mm-40 -59.54 -15.1 15.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.55 ' HD2' ' CG ' ' A' ' 92' ' ' PHE . 2.7 tppt? -82.87 -71.04 0.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.335 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.729 ' HB2' ' CB ' ' A' ' 12' ' ' TYR . . . -40.64 -29.49 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.455 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 4.6 t-20 -68.29 -66.51 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.892 ' CZ ' HD11 ' A' ' 116' ' ' LEU . 39.9 t80 -46.34 -45.28 17.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 111.052 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.709 ' O ' HD23 ' A' ' 117' ' ' LEU . 2.0 mt -54.77 -33.8 28.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.255 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 111' ' ' ASN . . . -71.69 -70.06 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.448 ' CZ ' ' HG2' ' A' ' 32' ' ' LYS . 0.2 OUTLIER -41.27 -29.36 0.13 Allowed 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.034 -0.984 . . . . 0.0 109.844 -179.893 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.892 HD11 ' CZ ' ' A' ' 112' ' ' PHE . 17.1 mt -77.69 -47.06 20.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.847 ' O ' HD12 ' A' ' 117' ' ' LEU . 1.0 OUTLIER -91.49 30.55 1.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 5.7 m -104.73 -54.97 2.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.407 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -131.89 124.65 29.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.531 HG21 ' HG2' ' A' ' 76' ' ' ARG . 20.7 p -104.61 48.96 0.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.357 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -131.33 148.71 71.21 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.279 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -78.82 166.99 22.87 Favored 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.286 3.324 . . . . 0.0 109.617 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 3.4 m -78.37 -60.34 2.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.43 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' HEC . . . . . 0.71 ' CMA' ' CZ ' ' A' ' 92' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.1 t70 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 56.1 t -52.37 -24.41 5.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.358 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.5 m -49.53 -24.89 2.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.363 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.496 ' N ' ' ND2' ' A' ' 4' ' ' ASN . 0.3 OUTLIER -82.15 -47.92 11.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 1.04 ' HB1' HD21 ' A' ' 117' ' ' LEU . . . -56.76 -51.9 67.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 7' ' ' LYS . 12.4 pt-20 -52.32 -36.42 53.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.259 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 11' ' ' LYS . 3.9 tptt -63.96 -55.63 21.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.627 HD21 HG12 ' A' ' 85' ' ' ILE . 9.8 mt -48.02 -39.32 19.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.445 ' O ' ' CB ' ' A' ' 13' ' ' THR . 88.3 t -65.57 -53.18 42.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -73.06 -0.74 14.8 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.807 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 7' ' ' LYS . 1.8 tptp -103.12 -72.07 0.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.68 ' HB2' ' HB2' ' A' ' 110' ' ' ALA . 62.3 m-85 -51.75 -21.66 2.95 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 114.988 -1.006 . . . . 0.0 109.863 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.445 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 52.9 m -79.27 -53.86 6.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.401 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.423 ' O ' ' N ' ' A' ' 18' ' ' SER . 3.5 t30 -55.63 -54.79 39.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.8 mt -50.1 -49.53 21.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.34 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.25 -43.33 96.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.457 ' ND1' ' O ' ' A' ' 23' ' ' TYR . 70.0 t60 -66.98 -29.09 68.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.597 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 14' ' ' ASN . 46.7 t -72.87 -20.06 61.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 110.032 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -99.06 -28.94 13.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.415 ' ND2' ' HG2' ' A' ' 22' ' ' MET . 0.1 OUTLIER -141.18 113.78 6.86 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.158 . . . . 0.0 109.283 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -78.61 42.92 1.34 Allowed 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.299 3.332 . . . . 0.0 109.59 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.415 ' HG2' ' ND2' ' A' ' 20' ' ' ASN . 17.3 ptt? -146.69 34.15 0.94 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.457 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 69.5 t80 -151.81 114.19 4.55 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.833 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -95.29 -47.36 6.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.322 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.68 ' HB1' ' CD ' ' A' ' 26' ' ' PRO . . . -165.26 176.48 2.01 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.68 ' CD ' ' HB1' ' A' ' 25' ' ' ALA . 27.6 Cg_exo -67.19 164.54 29.9 Favored 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 124.335 3.356 . . . . 0.0 109.619 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.68 12.02 9.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.027 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 41.1 pt 44.09 49.74 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.714 HG22 ' O ' ' A' ' 29' ' ' THR . 3.4 m -162.29 38.72 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 110.435 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 33' ' ' ILE . 0.6 OUTLIER -148.22 -45.6 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -47.72 -24.53 2.94 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.496 1.122 . . . . 0.0 111.034 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.526 ' HB3' ' CZ ' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -72.85 -35.49 67.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 0.777 . . . . 0.0 109.284 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.481 HD11 ' HE3' ' A' ' 32' ' ' LYS . 13.2 mt -85.61 3.96 3.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.09 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.54 ' CG ' ' O ' ' A' ' 34' ' ' PHE . 60.7 t80 -124.42 30.0 6.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.95 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.587 ' CD1' ' HB2' ' A' ' 49' ' ' CYS . 42.4 t80 -145.25 -41.67 0.23 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.148 . . . . 0.0 111.006 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -100.42 6.85 44.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 -79.95 88.02 5.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 110.313 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.5 ttpp -48.37 101.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.455 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 35.7 p90 -108.76 162.13 14.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.79 134.96 51.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 12.8 p -85.4 153.45 58.98 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.386 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.859 ' HG3' ' HA3' ' A' ' 101' ' ' GLY . 59.5 Cg_endo -64.11 -9.04 17.97 Favored 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.296 3.33 . . . . 0.0 109.606 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.1 p -85.87 -6.87 59.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.969 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 84.49 67.07 1.44 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -171.83 138.9 1.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 0.737 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -89.16 123.23 33.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 110.273 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -133.83 -178.44 5.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.271 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.455 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -162.77 152.17 15.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.587 ' HB2' ' CD1' ' A' ' 35' ' ' PHE . 61.9 m -64.77 -13.54 55.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 108.327 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.439 ' HA ' ' O ' ' A' ' 54' ' ' THR . . . -101.37 4.19 41.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.474 ' OG ' ' CMC' ' A' ' 125' ' ' HEC . 90.6 p -75.18 -27.08 59.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 110.008 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 80.5 m -121.83 -47.16 2.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 108.291 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.521 ' O ' ' OG1' ' A' ' 54' ' ' THR . 90.3 m-70 -82.88 14.12 3.47 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.012 -0.994 . . . . 0.0 109.779 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.521 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 44.9 p 50.81 171.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.139 . . . . 0.0 110.387 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -54.01 -22.04 9.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -134.85 125.53 17.35 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.817 ' HG3' HD21 ' A' ' 116' ' ' LEU . 60.4 Cg_endo -70.72 -42.52 2.36 Favored 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.301 3.334 . . . . 0.0 109.603 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.642 ' HA ' ' HB2' ' A' ' 74' ' ' ALA . . . -55.64 -16.95 4.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -90.68 171.26 9.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 70.1 t -73.58 130.38 35.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.433 ' HA2' HG23 ' A' ' 54' ' ' THR . . . -100.78 -174.48 29.39 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.499 1.124 . . . . 0.0 111.013 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.1 tttt -159.61 134.77 8.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 0.755 . . . . 0.0 109.272 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.792 ' ND2' HD11 ' A' ' 70' ' ' ILE . 84.1 m-20 -85.28 128.32 34.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 7.3 pt -84.35 7.22 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.344 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 71.0 t -88.67 -54.44 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 62.5 p -109.17 -33.77 6.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.155 . . . . 0.0 110.442 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 80.97 34.71 26.36 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.467 1.105 . . . . 0.0 111.045 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.435 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 1.0 OUTLIER -77.72 -94.17 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 0.764 . . . . 0.0 109.328 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.435 ' HB3' ' O ' ' A' ' 68' ' ' LYS . 14.1 pt-20 179.25 120.57 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.322 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.792 HD11 ' ND2' ' A' ' 63' ' ' ASN . 2.7 mm -109.93 126.65 28.59 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.465 ' CB ' ' HD2' ' A' ' 72' ' ' PRO . 58.3 Cg_endo -71.0 170.25 18.52 Favored 'Trans proline' 0 N--CA 1.448 -1.184 0 C-N-CA 124.347 3.365 . . . . 0.0 109.578 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.696 ' HG2' HD21 ' A' ' 78' ' ' ASN . 13.0 Cg_endo -51.99 135.85 51.84 Favored 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.322 3.348 . . . . 0.0 109.599 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.803 HD12 ' O ' ' A' ' 73' ' ' LEU . 1.3 tp -91.4 -20.15 22.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.642 ' HB2' ' HA ' ' A' ' 58' ' ' ALA . . . -36.58 96.83 0.11 Allowed Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.563 ' HB3' ' CG ' ' A' ' 82' ' ' PHE . 15.5 Cg_exo -68.05 54.89 0.7 Allowed 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 124.353 3.368 . . . . 0.0 109.582 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.676 ' HB3' HG21 ' A' ' 120' ' ' THR . 2.1 ttt-85 -171.29 -50.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.297 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.66 HG12 ' OD1' ' A' ' 78' ' ' ASN . 33.6 t -45.93 -41.29 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.696 HD21 ' HG2' ' A' ' 72' ' ' PRO . 0.4 OUTLIER -111.63 157.54 20.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.348 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.3 t -94.95 3.75 54.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.408 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -104.96 28.33 7.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.441 ' NH2' ' HG2' ' A' ' 71' ' ' PRO . 23.3 mmt-85 -127.6 147.82 50.35 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 110.287 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.563 ' CG ' ' HB3' ' A' ' 75' ' ' PRO . 3.3 m-30 57.08 46.02 19.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 60.1 m -76.05 -64.46 1.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 110.429 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -83.54 97.21 8.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.627 HG12 HD21 ' A' ' 8' ' ' LEU . 5.4 tt -75.57 -2.43 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.249 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -94.39 -24.1 17.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 90' ' ' ASP . 15.7 mttt -101.04 -53.75 2.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -43.16 -28.33 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.443 ' CG ' ' OH ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -79.4 -44.85 20.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.267 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 87' ' ' LYS . 43.2 m-20 -67.15 -45.56 76.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.247 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -59.3 -46.84 87.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.784 ' CE1' HMA1 ' A' ' 125' ' ' HEC . 0.1 OUTLIER -47.73 -27.4 1.96 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 110.993 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.762 HG23 ' CG ' ' A' ' 103' ' ' ASP . 1.2 m -88.33 -49.0 7.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.375 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.44 -21.93 64.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.44 ' O ' ' N ' ' A' ' 99' ' ' ILE . 1.3 t60 -73.61 -58.13 3.52 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.749 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.421 ' C ' ' O ' ' A' ' 102' ' ' ALA . 15.1 m -58.43 -26.8 63.71 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.571 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -79.14 -13.55 59.66 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.64 5.19 10.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.44 ' N ' ' O ' ' A' ' 95' ' ' HIS . 5.5 mm -120.33 -46.55 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.433 ' O ' ' HD3' ' A' ' 42' ' ' PRO . 39.9 mt -104.14 -24.6 13.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.859 ' HA3' ' HG3' ' A' ' 42' ' ' PRO . . . 98.25 16.37 32.66 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.521 1.138 . . . . 0.0 110.987 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 96' ' ' CYS . . . -164.35 -176.55 4.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 0.788 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.762 ' CG ' HG23 ' A' ' 93' ' ' THR . 9.4 t0 -94.51 119.94 33.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 35.2 m -58.55 161.16 4.78 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.62 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.463 ' OG ' ' CG ' ' A' ' 108' ' ' GLU . 54.0 p -81.49 145.64 55.56 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.993 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -59.56 -14.55 26.34 Favored 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 124.3 3.333 . . . . 0.0 109.593 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 60.1 p -86.46 -44.76 11.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.424 1.078 . . . . 0.0 110.005 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.463 ' CG ' ' OG ' ' A' ' 105' ' ' SER . 2.1 mm-40 -66.47 -8.19 24.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.319 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.567 ' HD2' ' CD2' ' A' ' 92' ' ' PHE . 1.5 tppt? -86.02 -63.93 1.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.68 ' HB2' ' HB2' ' A' ' 12' ' ' TYR . . . -58.88 -16.49 17.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -78.85 -36.46 42.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.628 ' CE2' HD11 ' A' ' 116' ' ' LEU . 73.4 t80 -79.99 -46.09 17.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.501 HD12 ' HG3' ' A' ' 109' ' ' LYS . 1.9 mt -50.98 -42.62 24.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.589 ' HB2' ' HG2' ' A' ' 26' ' ' PRO . . . -61.97 -69.34 0.25 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.26 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.526 ' CZ ' ' HB3' ' A' ' 32' ' ' LYS . 0.9 OUTLIER -39.9 -39.48 0.84 Allowed 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.795 -179.913 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.817 HD21 ' HG3' ' A' ' 57' ' ' PRO . 11.6 mt -68.62 -62.84 1.21 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 1.04 HD21 ' HB1' ' A' ' 5' ' ' ALA . 16.7 mt -39.38 -44.93 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.44 HG22 ' C ' ' A' ' 115' ' ' TYR . 8.7 t -77.66 -37.88 48.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.449 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.492 ' HG3' ' CD2' ' A' ' 115' ' ' TYR . 1.6 mm-40 -86.6 91.08 8.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.676 HG21 ' HB3' ' A' ' 76' ' ' ARG . 4.9 p -141.74 48.02 1.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 110.424 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 6.7 mttm -132.31 100.88 15.06 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -56.19 161.82 8.43 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.299 3.333 . . . . 0.0 109.585 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 53.5 m -86.28 -59.0 2.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.436 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' HEC . . . . . 0.784 HMA1 ' CE1' ' A' ' 92' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.561 HG12 ' O ' ' A' ' 2' ' ' VAL . 53.8 t -84.33 13.42 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 4' ' ' ASN . 76.5 m -93.75 -72.34 0.61 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 110.385 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.563 ' HB3' HD11 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -39.37 -54.88 1.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.577 ' HB1' HD22 ' A' ' 117' ' ' LEU . . . -41.87 -50.04 4.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.571 1.169 . . . . 0.0 109.302 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 3' ' ' THR . 10.4 tp10 -55.07 -47.71 74.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.319 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.452 ' C ' ' CD ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -58.71 -48.53 80.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.65 HD21 HG23 ' A' ' 85' ' ' ILE . 11.0 mt -51.52 -51.29 56.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.531 HG21 HD21 ' A' ' 117' ' ' LEU . 81.3 t -56.94 -52.18 58.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -66.73 -7.6 22.17 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.025 -0.988 . . . . 0.0 109.789 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.1 tptm -99.58 -74.75 0.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.097 . . . . 0.0 109.276 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.642 ' HB2' ' HB2' ' A' ' 110' ' ' ALA . 74.8 m-85 -46.21 -25.41 0.6 Allowed 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 114.959 -1.019 . . . . 0.0 109.846 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.461 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 25.1 m -72.72 -46.51 53.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.381 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.445 ' O ' ' N ' ' A' ' 17' ' ' HIS . 2.3 t-20 -62.09 -60.92 2.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.4 mt -43.75 -47.49 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.85 -39.86 90.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.341 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.445 ' N ' ' O ' ' A' ' 14' ' ' ASN . 12.9 t60 -69.9 -30.56 68.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.612 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 29.7 t -64.93 -10.86 32.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.046 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -110.43 -44.93 3.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.44 ' ND2' ' HD2' ' A' ' 21' ' ' PRO . 13.2 t-20 -119.84 121.68 29.58 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.44 ' HD2' ' ND2' ' A' ' 20' ' ' ASN . 88.1 Cg_endo -82.86 35.65 0.58 Allowed 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.331 3.354 . . . . 0.0 109.607 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 3.7 mtt -143.24 36.99 1.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.984 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.441 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 12.7 t80 -138.8 113.34 8.96 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.829 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -100.21 -48.65 4.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.288 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -158.16 152.37 20.13 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -59.65 -161.76 0.02 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.188 0 C-N-CA 124.321 3.347 . . . . 0.0 109.572 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 29.4 t -150.63 164.21 36.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.424 1.078 . . . . 0.0 109.982 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.596 ' HB ' HG21 ' A' ' 118' ' ' THR . 5.8 pt -117.55 43.47 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.09 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.514 HG22 ' O ' ' A' ' 29' ' ' THR . 51.5 m -154.86 35.51 0.4 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 110.411 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.491 ' HA ' HD12 ' A' ' 33' ' ' ILE . 0.2 OUTLIER -154.83 -44.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.469 ' N ' HD21 ' A' ' 111' ' ' ASN . . . -41.85 -27.27 0.35 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.446 1.091 . . . . 0.0 110.971 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.515 ' HB3' ' CZ ' ' A' ' 115' ' ' TYR . 26.2 pttt -69.92 -46.46 65.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 0.802 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.491 HD12 ' HA ' ' A' ' 30' ' ' ASP . 19.7 mt -58.86 -55.15 25.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -56.63 -18.71 13.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.547 ' CE2' ' HD3' ' A' ' 57' ' ' PRO . 84.9 t80 -108.86 4.99 24.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.956 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.411 ' OD1' ' O ' ' A' ' 35' ' ' PHE . 85.7 m-20 -142.52 27.43 1.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.471 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -104.56 88.97 3.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -43.61 95.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.253 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.56 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 30.6 p90 -106.62 161.14 14.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 111.016 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.26 135.06 46.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.423 ' HB ' ' HD2' ' A' ' 42' ' ' PRO . 69.3 p -79.15 154.64 77.34 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 110.427 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.88 ' HG3' ' HA3' ' A' ' 101' ' ' GLY . 60.7 Cg_endo -64.83 -6.2 12.09 Favored 'Trans proline' 0 N--CA 1.447 -1.251 0 C-N-CA 124.348 3.365 . . . . 0.0 109.587 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.2 p -107.94 31.92 5.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.029 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 49.78 83.81 0.03 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.529 1.143 . . . . 0.0 111.015 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.473 ' HD3' ' HB2' ' A' ' 47' ' ' ALA . 0.0 OUTLIER 178.72 124.59 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 0.762 . . . . 0.0 109.322 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -79.99 125.31 29.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 0.0 110.322 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.473 ' HB2' ' HD3' ' A' ' 45' ' ' LYS . . . -141.39 177.93 7.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.56 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -159.11 153.87 24.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.44 ' CB ' ' CD1' ' A' ' 35' ' ' PHE . 61.7 m -65.69 -12.34 52.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 108.279 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.482 ' HB1' ' HA ' ' A' ' 55' ' ' ASN . . . -103.68 5.93 36.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.483 ' OG ' ' CMC' ' A' ' 125' ' ' HEC . 90.5 p -73.58 -31.86 63.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.034 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 62' ' ' LYS . 61.2 m -116.06 -42.78 3.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 108.307 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.499 ' O ' ' OG1' ' A' ' 54' ' ' THR . 69.0 m-70 -86.54 15.73 5.27 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.733 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.499 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 61.3 p 49.77 173.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 110.399 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.482 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 7.4 p30 -56.48 -25.95 52.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.48 ' ND2' ' H ' ' A' ' 124' ' ' LYS . 15.1 t30 -127.32 124.63 23.75 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.547 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 65.0 Cg_endo -70.64 -39.46 4.79 Favored 'Trans proline' 0 N--CA 1.447 -1.209 0 C-N-CA 124.338 3.359 . . . . 0.0 109.632 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.34 -16.05 12.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -89.12 175.31 7.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.26 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 40.4 t -78.98 117.09 23.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.248 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.467 ' HA2' HG23 ' A' ' 54' ' ' THR . . . -77.21 -169.49 31.96 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.528 1.143 . . . . 0.0 110.996 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 52' ' ' CYS . 0.5 OUTLIER -170.24 122.23 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 0.749 . . . . 0.0 109.257 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.641 ' ND2' HD11 ' A' ' 70' ' ' ILE . 90.9 m-20 -77.72 134.89 38.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 7.0 pt -84.33 8.15 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 67.8 t -87.28 -54.57 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.256 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 71.9 p -106.86 -34.42 7.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.382 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 88.36 47.48 4.33 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.128 . . . . 0.0 110.99 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.65 -166.35 1.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.57 0.806 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -112.83 101.19 9.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.316 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.641 HD11 ' ND2' ' A' ' 63' ' ' ASN . 2.8 mm -82.35 118.07 70.64 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -46.65 163.77 0.11 Allowed 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.306 3.338 . . . . 0.0 109.621 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -48.44 132.32 24.42 Favored 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.343 3.362 . . . . 0.0 109.569 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.468 HD11 ' C2A' ' A' ' 125' ' ' HEC . 5.5 tp -84.76 -31.14 24.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.647 ' HB3' ' HB ' ' A' ' 77' ' ' VAL . . . -39.61 100.3 0.21 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.265 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.606 ' HB3' ' CD1' ' A' ' 82' ' ' PHE . 48.0 Cg_exo -59.37 -13.04 18.68 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.341 3.361 . . . . 0.0 109.557 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.6 ttp85 -100.84 -53.55 3.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 110.273 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.647 ' HB ' ' HB3' ' A' ' 74' ' ' ALA . 40.3 t -54.86 -40.25 51.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.431 ' ND2' ' HG2' ' A' ' 81' ' ' ARG . 40.1 t-20 -95.05 104.46 16.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 43.4 p -59.19 -19.11 42.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.418 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.413 ' O ' ' NH1' ' A' ' 81' ' ' ARG . 6.6 mmtp -88.28 43.19 1.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.084 . . . . 0.0 109.277 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.502 ' CB ' ' HA ' ' A' ' 75' ' ' PRO . 86.7 mmt-85 -147.24 171.99 14.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 110.311 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.606 ' CD1' ' HB3' ' A' ' 75' ' ' PRO . 3.8 m-30 36.05 66.07 0.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 86.5 m -96.46 -60.4 1.62 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 110.384 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -112.04 100.76 9.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.65 HG23 HD21 ' A' ' 8' ' ' LEU . 55.6 mt -40.16 -43.67 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 85' ' ' ILE . 29.9 t0 -40.41 -58.67 1.49 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.86 79.57 6.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.262 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER 174.54 -34.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -71.15 -53.96 12.69 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.548 1.155 . . . . 0.0 110.3 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -65.06 -49.47 69.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 109.327 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -47.57 -38.71 14.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 110.277 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.577 ' CZ ' ' CMA' ' A' ' 125' ' ' HEC . 0.1 OUTLIER -62.86 -27.04 69.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 111.003 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.646 HG23 ' CG ' ' A' ' 103' ' ' ASP . 1.0 OUTLIER -88.34 -36.67 16.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.373 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.0 mmmt -72.07 -29.69 64.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.423 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.4 t60 -67.46 -60.6 2.43 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.78 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.45 ' C ' ' O ' ' A' ' 102' ' ' ALA . 1.8 m -54.78 -25.11 25.82 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.567 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.459 ' HA ' ' N ' ' A' ' 102' ' ' ALA . 1.9 m-20 -78.84 -15.8 57.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -111.53 -4.53 14.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.423 HG13 ' CE1' ' A' ' 95' ' ' HIS . 48.9 mm -111.06 -57.33 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.712 HD12 ' SG ' ' A' ' 104' ' ' CYS . 47.0 mt -91.33 -15.86 28.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.88 ' HA3' ' HG3' ' A' ' 42' ' ' PRO . . . 87.64 13.7 64.64 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.516 1.135 . . . . 0.0 111.039 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.459 ' N ' ' HA ' ' A' ' 97' ' ' ASN . . . -161.2 -169.98 2.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 0.759 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.646 ' CG ' HG23 ' A' ' 93' ' ' THR . 8.2 t0 -96.9 121.39 38.72 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.712 ' SG ' HD12 ' A' ' 100' ' ' LEU . 45.2 m -61.39 161.5 9.21 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.04 -0.982 . . . . 0.0 109.554 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.5 m -74.57 143.35 78.88 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.135 . . . . 0.0 109.951 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -61.52 -20.69 69.6 Favored 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.333 3.356 . . . . 0.0 109.603 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 53.0 p -82.52 -34.65 27.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.027 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -75.5 -14.45 60.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.342 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.568 ' HD2' ' CD1' ' A' ' 92' ' ' PHE . 0.6 OUTLIER -78.3 -59.64 2.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.642 ' HB2' ' HB2' ' A' ' 12' ' ' TYR . . . -59.04 -24.67 63.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.469 HD21 ' N ' ' A' ' 31' ' ' GLY . 0.8 OUTLIER -69.0 -39.84 79.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.31 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.711 ' CE2' HD11 ' A' ' 116' ' ' LEU . 39.5 t80 -76.5 -45.98 28.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 111.049 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.654 ' O ' HD23 ' A' ' 117' ' ' LEU . 1.9 mt -52.55 -38.58 26.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.36 -60.44 2.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.515 ' CZ ' ' HB3' ' A' ' 32' ' ' LYS . 1.3 t80 -53.14 -35.2 59.47 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.851 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.711 HD11 ' CE2' ' A' ' 112' ' ' PHE . 7.2 mt -70.37 -41.63 72.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.421 1.076 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.901 ' O ' HD12 ' A' ' 117' ' ' LEU . 1.2 pp -92.34 28.25 2.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.143 . . . . 0.0 109.332 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.689 ' O ' HG23 ' A' ' 120' ' ' THR . 1.9 m -115.13 -63.87 1.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.353 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -61.88 110.47 1.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.689 HG23 ' O ' ' A' ' 118' ' ' THR . 42.9 p -107.8 54.26 0.67 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 110.386 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.897 ' HD2' ' OXT' ' A' ' 124' ' ' LYS . 0.0 OUTLIER -176.37 145.54 0.71 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -82.27 168.01 15.26 Favored 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.338 3.359 . . . . 0.0 109.562 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . 0.482 ' O ' HG22 ' A' ' 123' ' ' THR . 34.1 m 64.01 54.73 1.65 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 110.397 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.897 ' OXT' ' HD2' ' A' ' 121' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.235 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' HEC . . . . . 0.685 HMB1 HBB3 ' A' ' 125' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 54.0 t -58.18 -48.28 85.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.3 m -38.43 -41.61 0.66 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 110.425 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.475 ' N ' ' ND2' ' A' ' 4' ' ' ASN . 0.3 OUTLIER -79.66 -49.09 12.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.241 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.969 ' HB1' HD22 ' A' ' 117' ' ' LEU . . . -51.44 -47.79 62.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -52.86 -49.45 65.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.572 1.17 . . . . 0.0 110.307 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.436 ' C ' ' CD ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -53.14 -52.93 57.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.479 HD11 HG11 ' A' ' 88' ' ' VAL . 10.9 mt -51.39 -53.04 40.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.266 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.571 HG21 HD21 ' A' ' 117' ' ' LEU . 91.7 t -59.91 -36.5 67.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -80.27 6.95 10.53 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.851 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.8 mmtm -119.83 -74.05 0.62 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 109.326 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.405 ' HB2' ' HB2' ' A' ' 110' ' ' ALA . 83.1 m-85 -45.88 -24.06 0.35 Allowed 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.799 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.431 ' CG2' ' O ' ' A' ' 24' ' ' GLU . 51.8 m -75.5 -53.36 8.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 110.421 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -55.87 -53.61 54.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.8 mt -50.4 -48.2 25.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.72 -45.39 94.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.338 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.461 ' HA ' ' O ' ' A' ' 20' ' ' ASN . 72.7 t60 -64.45 -30.21 71.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.584 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.5 t -71.68 -18.22 62.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.992 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -102.35 -21.48 14.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.461 ' O ' ' HA ' ' A' ' 17' ' ' HIS . 11.3 t-20 -146.77 119.37 4.9 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.422 ' HD2' ' ND2' ' A' ' 20' ' ' ASN . 91.0 Cg_endo -83.18 31.82 0.52 Allowed 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.338 3.358 . . . . 0.0 109.586 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.6 mtp -138.9 30.52 2.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 110.98 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.45 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 82.4 t80 -147.86 112.4 5.32 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.058 -0.973 . . . . 0.0 109.796 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.431 ' O ' ' CG2' ' A' ' 13' ' ' THR . 3.2 mm-40 -94.89 -48.61 5.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 110.322 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.66 ' HB1' ' CD ' ' A' ' 26' ' ' PRO . . . -160.72 175.6 3.03 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.66 ' CD ' ' HB1' ' A' ' 25' ' ' ALA . 16.6 Cg_exo -70.57 -178.55 2.71 Favored 'Trans proline' 0 N--CA 1.448 -1.198 0 C-N-CA 124.362 3.375 . . . . 0.0 109.537 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.485 ' C ' HG13 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -136.96 25.15 3.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 0.0 110.012 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.815 ' O ' HD12 ' A' ' 28' ' ' ILE . 2.7 pp 35.26 36.28 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.457 ' N ' ' O ' ' A' ' 27' ' ' SER . 35.5 m -126.64 -59.06 1.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.394 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.27 -16.65 14.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.583 ' N ' HD21 ' A' ' 111' ' ' ASN . . . -70.03 63.88 0.72 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.471 1.107 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.21 -47.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 0.759 . . . . 0.0 109.293 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 89.7 mt -62.13 -41.38 91.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -76.5 -9.75 58.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 0.0 110.966 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.57 ' CD1' ' HB2' ' A' ' 49' ' ' CYS . 82.5 t80 -111.71 9.18 20.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 111.028 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -145.9 26.92 1.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.485 ' O ' ' N ' ' A' ' 39' ' ' PHE . 4.1 tpm_? -100.88 93.07 5.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.294 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -46.68 93.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.598 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 24.0 p90 -107.62 156.41 19.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -105.01 139.16 40.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.439 ' HB ' ' HD2' ' A' ' 42' ' ' PRO . 52.4 p -83.12 154.86 67.26 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.395 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.889 ' HG3' ' HA3' ' A' ' 101' ' ' GLY . 56.9 Cg_endo -62.85 -7.85 12.28 Favored 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.36 3.373 . . . . 0.0 109.595 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.5 p -103.83 32.67 3.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 109.961 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 48.71 80.14 0.06 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.122 . . . . 0.0 110.995 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 24.0 ttpt -175.03 135.23 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 0.789 . . . . 0.0 109.28 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -93.43 123.25 36.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -136.33 -169.44 2.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.608 ' O ' HMC3 ' A' ' 125' ' ' HEC . . . -175.1 154.15 1.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.27 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.57 ' HB2' ' CD1' ' A' ' 35' ' ' PHE . 21.4 m -70.11 -8.02 46.21 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 108.321 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.444 ' HA ' ' O ' ' A' ' 54' ' ' THR . . . -107.29 5.67 27.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.252 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.4 ' HB2' ' O ' ' A' ' 48' ' ' ALA . 0.4 OUTLIER -86.51 -20.29 28.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.972 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 63.9 m -122.31 -44.71 2.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 108.326 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.523 ' O ' ' OG1' ' A' ' 54' ' ' THR . 65.2 m-70 -93.35 16.51 13.17 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 114.961 -1.018 . . . . 0.0 109.791 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.523 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 58.0 p 50.63 169.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 110.366 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.42 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 9.9 p30 -53.07 -25.8 13.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 15.9 t30 -128.71 124.78 22.79 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.512 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 74.2 Cg_endo -71.31 -37.32 5.91 Favored 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.292 3.328 . . . . 0.0 109.614 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.76 -13.87 17.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 0.0 109.235 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -92.65 173.73 7.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 87.1 t -75.32 127.61 36.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.415 ' HA2' HG23 ' A' ' 54' ' ' THR . . . -99.74 -177.67 30.93 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.545 1.153 . . . . 0.0 111.006 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -161.63 135.86 6.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 0.789 . . . . 0.0 109.322 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.921 ' ND2' HD11 ' A' ' 70' ' ' ILE . 92.9 m-20 -85.7 127.45 34.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.8 pt -83.11 5.83 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 74.5 t -86.78 -53.78 9.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.244 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 77.1 p -109.13 -34.02 6.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.392 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 81.59 35.29 23.01 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.55 1.156 . . . . 0.0 111.001 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 32.8 mmtt -80.27 -94.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 0.752 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.403 ' O ' ' HD3' ' A' ' 71' ' ' PRO . 9.5 pt-20 -179.39 123.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.921 HD11 ' ND2' ' A' ' 63' ' ' ASN . 2.2 mm -114.06 96.01 40.39 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.42 ' HB3' ' HD2' ' A' ' 72' ' ' PRO . 89.0 Cg_exo -49.42 167.56 0.16 Allowed 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.321 3.347 . . . . 0.0 109.614 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.42 ' HD2' ' HB3' ' A' ' 71' ' ' PRO . 68.2 Cg_exo -37.4 132.32 0.59 Allowed 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 124.338 3.359 . . . . 0.0 109.586 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.424 ' O ' ' C ' ' A' ' 74' ' ' ALA . 3.7 tp -94.2 -30.21 14.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.542 ' HA ' HD22 ' A' ' 116' ' ' LEU . . . -38.56 108.53 0.46 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.285 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.533 ' HB2' ' CG ' ' A' ' 82' ' ' PHE . 71.8 Cg_endo -79.25 41.88 1.18 Allowed 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.294 3.33 . . . . 0.0 109.575 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.785 ' NH1' HG22 ' A' ' 120' ' ' THR . 0.0 OUTLIER -148.61 -56.44 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.291 -179.904 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.45 HG12 ' OD1' ' A' ' 78' ' ' ASN . 14.1 t -42.79 -42.69 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 109.254 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.485 ' N ' ' OD1' ' A' ' 78' ' ' ASN . 0.2 OUTLIER -100.63 147.83 25.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 25.4 p -90.29 2.62 55.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.404 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.86 47.29 0.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.25 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.408 ' CB ' ' HA ' ' A' ' 75' ' ' PRO . 59.0 mmt-85 -143.77 158.18 43.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.16 . . . . 0.0 110.32 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.533 ' CG ' ' HB2' ' A' ' 75' ' ' PRO . 1.6 m-30 50.8 34.17 9.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.941 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 34.9 m -91.65 53.42 2.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.147 . . . . 0.0 110.43 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.2 t0 177.93 90.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.464 ' O ' HG23 ' A' ' 85' ' ' ILE . 2.5 tt -89.45 40.06 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -126.66 -46.82 1.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.408 ' HE3' ' CG ' ' A' ' 91' ' ' GLU . 30.4 tttp -87.35 -34.36 18.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.479 HG11 HD11 ' A' ' 8' ' ' LEU . 1.2 t -50.62 -36.92 14.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -77.26 57.46 1.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.275 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.1 t0 175.49 -48.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.41 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 6.5 mm-40 -56.25 -19.09 12.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.724 ' CZ ' ' CMA' ' A' ' 125' ' ' HEC . 0.1 OUTLIER -84.02 -24.07 30.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 110.975 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.0 -31.45 18.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 110.406 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 43.4 mmtt -75.98 -30.03 58.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.574 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.3 t60 -67.72 -58.77 4.07 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 115.008 -0.996 . . . . 0.0 109.774 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.424 ' C ' ' O ' ' A' ' 102' ' ' ALA . 8.4 m -57.24 -24.81 57.14 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.561 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.451 ' HA ' ' N ' ' A' ' 102' ' ' ALA . 1.6 m-20 -81.29 -13.0 58.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -115.53 -2.84 12.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.574 HG13 ' CE1' ' A' ' 95' ' ' HIS . 26.8 mm -114.47 -55.13 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.777 HD12 ' SG ' ' A' ' 104' ' ' CYS . 41.5 mt -94.46 -9.56 35.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.889 ' HA3' ' HG3' ' A' ' 42' ' ' PRO . . . 81.11 13.86 80.21 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.55 1.156 . . . . 0.0 110.998 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.451 ' N ' ' HA ' ' A' ' 97' ' ' ASN . . . -167.72 176.81 6.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.448 0.734 . . . . 0.0 109.361 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -79.14 131.62 36.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.777 ' SG ' HD12 ' A' ' 100' ' ' LEU . 35.9 m -71.37 162.06 30.04 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.536 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.5 m -73.66 141.67 79.66 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.974 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_endo -60.3 -17.0 44.29 Favored 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.335 3.357 . . . . 0.0 109.595 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 54.2 p -87.74 -38.03 16.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.947 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -70.63 -5.66 31.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.324 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.57 ' HG3' HD12 ' A' ' 113' ' ' ILE . 2.6 tppt? -92.08 -65.77 0.98 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.405 ' HB2' ' HB2' ' A' ' 12' ' ' TYR . . . -49.74 -22.66 1.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.267 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.583 HD21 ' N ' ' A' ' 31' ' ' GLY . 0.3 OUTLIER -77.23 -37.25 53.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.703 ' CE2' HD11 ' A' ' 116' ' ' LEU . 47.2 t80 -77.32 -45.71 25.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.7 ' O ' HD23 ' A' ' 117' ' ' LEU . 1.7 mt -55.76 -39.21 54.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 117' ' ' LEU . . . -63.9 -70.69 0.2 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.142 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.574 ' CD2' ' HA3' ' A' ' 31' ' ' GLY . 1.2 t80 -43.85 -29.45 0.55 Allowed 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 114.966 -1.015 . . . . 0.0 109.831 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.703 HD11 ' CE2' ' A' ' 112' ' ' PHE . 12.0 mt -73.58 -44.85 56.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.969 HD22 ' HB1' ' A' ' 5' ' ' ALA . 1.0 OUTLIER -92.16 30.29 1.47 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.844 ' O ' HG23 ' A' ' 120' ' ' THR . 1.3 m -123.51 -63.49 1.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.451 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -54.84 113.4 1.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.844 HG23 ' O ' ' A' ' 118' ' ' THR . 82.7 p -114.53 54.25 0.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.085 . . . . 0.0 110.423 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.3 ptmt -175.78 137.71 0.51 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.319 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_endo -82.5 166.66 15.64 Favored 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.311 3.34 . . . . 0.0 109.593 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 50.6 m -85.73 -62.61 1.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.414 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.685 ' OXT' ' HG3' ' A' ' 124' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' HEC . . . . . 0.724 ' CMA' ' CZ ' ' A' ' 92' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.751 ' C ' HG23 ' A' ' 2' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.751 HG23 ' C ' ' A' ' 1' ' ' ASP . 3.0 t 87.05 -41.91 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.1 m -46.75 -26.79 1.01 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.13 . . . . 0.0 110.41 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.575 ' HB3' HD11 ' A' ' 85' ' ' ILE . 0.1 OUTLIER -84.82 -52.75 5.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.705 ' HB1' HD22 ' A' ' 117' ' ' LEU . . . -45.28 -47.22 12.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -56.77 -47.56 79.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.0 mmtm -55.86 -53.83 51.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.626 HD22 ' HE2' ' A' ' 12' ' ' TYR . 10.8 mt -47.76 -49.93 27.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 5' ' ' ALA . 59.8 t -60.03 -45.03 96.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -67.8 -12.88 61.51 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.843 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.418 ' HG3' HD12 ' A' ' 15' ' ' ILE . 7.3 tptt -95.83 -72.01 0.65 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.626 ' HE2' HD22 ' A' ' 8' ' ' LEU . 54.0 m-85 -45.69 -26.36 0.62 Allowed 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.829 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.418 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 22.4 m -74.0 -41.54 61.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 110.359 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.43 ' O ' ' N ' ' A' ' 18' ' ' SER . 16.3 t-20 -65.36 -60.16 3.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.418 HD12 ' HG3' ' A' ' 11' ' ' LYS . 2.9 mt -44.68 -48.12 2.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.29 -46.65 85.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.479 ' ND1' ' O ' ' A' ' 23' ' ' TYR . 9.4 t60 -65.71 -33.02 74.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 109.611 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 14' ' ' ASN . 44.5 t -67.08 -9.93 44.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.985 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -103.14 -39.8 6.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 109.346 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.411 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 38.4 p-10 -140.77 135.2 15.4 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -85.12 46.02 1.74 Allowed 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.303 3.335 . . . . 0.0 109.64 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 6.7 ptt? -145.41 37.86 1.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 110.966 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.479 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 12.4 t80 -146.57 106.15 3.94 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.802 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -93.2 -49.3 6.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.324 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.595 ' HB1' ' HD2' ' A' ' 26' ' ' PRO . . . -152.09 167.59 12.9 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.595 ' HD2' ' HB1' ' A' ' 25' ' ' ALA . 59.8 Cg_endo -87.56 -173.27 1.0 Allowed 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.297 3.332 . . . . 0.0 109.602 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.458 ' OG ' ' N ' ' A' ' 28' ' ' ILE . 18.4 t -140.03 -176.43 4.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.974 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.458 ' N ' ' OG ' ' A' ' 27' ' ' SER . 6.2 pt -125.41 53.53 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.9 m -139.29 -45.23 0.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.387 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -58.55 -34.68 71.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.598 ' O ' ' CE1' ' A' ' 115' ' ' TYR . . . -69.42 69.29 0.52 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.49 1.119 . . . . 0.0 110.968 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.442 ' HG2' ' CE1' ' A' ' 115' ' ' TYR . 4.0 mmtp -165.23 -61.62 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.472 0.748 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 26.2 mt -68.39 -50.36 57.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.607 ' CZ ' ' OE1' ' A' ' 108' ' ' GLU . 14.2 t80 -54.65 -21.19 9.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.976 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.59 ' CD1' ' HB2' ' A' ' 49' ' ' CYS . 86.3 t80 -108.2 5.36 25.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.41 ' OD1' ' O ' ' A' ' 35' ' ' PHE . 85.8 m-20 -142.36 25.59 1.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -103.75 99.26 9.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.289 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -49.72 92.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.578 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 22.5 p90 -105.38 156.43 18.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 111.031 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.03 139.46 39.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.419 ' HB ' ' HD2' ' A' ' 42' ' ' PRO . 30.1 p -84.42 154.38 62.62 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.391 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.888 ' HG3' ' HA3' ' A' ' 101' ' ' GLY . 53.8 Cg_endo -62.09 -8.19 11.54 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.286 3.324 . . . . 0.0 109.629 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 p -103.35 34.43 2.93 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.525 1.141 . . . . 0.0 110.018 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 47.08 81.35 0.04 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.477 1.11 . . . . 0.0 110.967 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -176.88 140.69 0.33 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 0.742 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -97.41 124.94 41.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.271 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.47 -175.34 4.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.578 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -167.43 154.63 8.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.59 ' HB2' ' CD1' ' A' ' 35' ' ' PHE . 21.8 m -70.52 -7.84 46.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 108.302 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.459 ' HA ' ' O ' ' A' ' 54' ' ' THR . . . -106.31 4.19 28.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.95 -17.76 36.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.98 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 62' ' ' LYS . 66.9 m -124.72 -45.57 1.9 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 108.289 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.506 ' O ' ' O ' ' A' ' 54' ' ' THR . 59.3 m-70 -93.26 18.57 9.33 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.752 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.506 ' O ' ' O ' ' A' ' 53' ' ' HIS . 47.9 p 49.28 171.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 110.42 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -52.25 -24.73 7.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.085 . . . . 0.0 109.275 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -130.28 126.88 22.4 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.498 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 74.0 Cg_endo -70.85 -43.96 1.54 Allowed 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.32 3.347 . . . . 0.0 109.61 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.18 -18.42 3.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -87.1 176.45 7.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.45 HG22 ' HD3' ' A' ' 72' ' ' PRO . 74.8 t -78.61 121.7 32.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.16 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.476 ' HA2' HG23 ' A' ' 54' ' ' THR . . . -86.16 -170.27 46.8 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.528 1.142 . . . . 0.0 110.981 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 52' ' ' CYS . 1.4 ttmt -165.32 124.1 1.69 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 0.764 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.916 ' ND2' HD11 ' A' ' 70' ' ' ILE . 89.8 m-20 -79.42 128.55 33.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.0 pt -83.49 6.1 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 53.2 t -87.87 -54.65 7.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 63.5 p -107.41 -35.29 6.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 110.422 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 80.38 34.28 29.45 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.49 1.119 . . . . 0.0 110.965 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -79.92 -95.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 0.736 . . . . 0.0 109.269 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -178.38 122.19 0.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 110.301 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.916 HD11 ' ND2' ' A' ' 63' ' ' ASN . 2.2 mm -111.2 102.28 52.53 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.446 ' HB3' ' HD2' ' A' ' 72' ' ' PRO . 85.4 Cg_exo -50.64 169.99 0.15 Allowed 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.346 3.364 . . . . 0.0 109.579 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.45 ' HD3' HG22 ' A' ' 60' ' ' VAL . 74.6 Cg_exo -38.5 130.65 1.11 Allowed 'Trans proline' 0 N--CA 1.448 -1.175 0 C-N-CA 124.296 3.33 . . . . 0.0 109.608 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.605 HD11 HBA2 ' A' ' 125' ' ' HEC . 3.3 tp -87.19 -32.03 20.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.339 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 73' ' ' LEU . . . -36.93 97.07 0.12 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.695 ' CD ' HD13 ' A' ' 116' ' ' LEU . 24.6 Cg_exo -63.66 -14.27 41.71 Favored 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.323 3.349 . . . . 0.0 109.609 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.54 -44.24 8.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.507 HG12 ' OD1' ' A' ' 78' ' ' ASN . 19.3 t -50.81 -42.66 23.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.239 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.507 ' OD1' HG12 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -103.2 133.96 47.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.5 t -82.95 -1.91 53.64 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.533 1.145 . . . . 0.0 110.388 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt -102.71 29.97 5.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.511 ' CB ' ' HA ' ' A' ' 75' ' ' PRO . 6.5 mmt180 -125.3 -92.1 0.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.313 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.636 ' CD1' ' HB3' ' A' ' 75' ' ' PRO . 1.5 m-30 -66.64 68.06 0.06 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.429 1.081 . . . . 0.0 110.966 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.596 HG22 ' O ' ' A' ' 83' ' ' THR . 22.0 m -131.76 41.46 3.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.407 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -175.57 63.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.326 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.603 HG23 HD21 ' A' ' 8' ' ' LEU . 96.2 mt -41.06 -49.73 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 85' ' ' ILE . 0.3 OUTLIER -39.55 -57.1 1.53 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -101.72 94.06 5.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER 174.16 -34.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.435 1.084 . . . . 0.0 109.277 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.405 ' HA ' ' OH ' ' A' ' 12' ' ' TYR . 0.5 OUTLIER -74.39 -27.44 60.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -83.73 -50.41 8.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 3.7 mm-40 -52.94 -20.46 3.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.26 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.652 ' CZ ' ' CMA' ' A' ' 125' ' ' HEC . 0.1 OUTLIER -79.58 -26.87 41.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.577 HG23 ' OD2' ' A' ' 103' ' ' ASP . 1.0 OUTLIER -87.76 -33.66 18.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.375 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -72.57 -34.3 67.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 1.168 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.574 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.2 t60 -63.75 -60.4 3.35 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.746 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.428 ' C ' ' O ' ' A' ' 102' ' ' ALA . 7.6 m -54.52 -26.89 34.45 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.589 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.462 ' HA ' ' N ' ' A' ' 102' ' ' ALA . 1.5 m-20 -77.7 -15.09 59.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -113.16 -0.97 14.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.574 HG13 ' CE1' ' A' ' 95' ' ' HIS . 22.3 mm -113.75 -57.31 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.525 HD12 ' SG ' ' A' ' 104' ' ' CYS . 63.9 mt -92.44 -19.17 22.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.888 ' HA3' ' HG3' ' A' ' 42' ' ' PRO . . . 93.27 13.3 56.2 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.488 1.118 . . . . 0.0 111.017 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.462 ' N ' ' HA ' ' A' ' 97' ' ' ASN . . . -163.15 -173.55 3.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 0.779 . . . . 0.0 109.263 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.577 ' OD2' HG23 ' A' ' 93' ' ' THR . 11.3 t0 -91.26 123.61 34.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.525 ' SG ' HD12 ' A' ' 100' ' ' LEU . 34.0 m -60.54 161.77 7.2 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.966 -1.015 . . . . 0.0 109.574 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.411 ' N ' ' HG2' ' A' ' 108' ' ' GLU . 0.9 OUTLIER -63.63 158.38 59.99 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.01 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -81.07 -24.45 4.66 Favored 'Trans proline' 0 N--CA 1.448 -1.188 0 C-N-CA 124.281 3.321 . . . . 0.0 109.537 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.49 -8.92 49.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.012 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.607 ' OE1' ' CZ ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -95.56 -21.51 18.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.277 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.823 ' O ' HD12 ' A' ' 113' ' ' ILE . 0.2 OUTLIER -72.8 -49.26 31.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.33 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.557 ' HB2' ' CB ' ' A' ' 12' ' ' TYR . . . -59.49 -43.45 93.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.155 . . . . 0.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.485 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 1.7 t-20 -49.96 -64.66 0.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.44 ' CE2' HD11 ' A' ' 116' ' ' LEU . 37.1 t80 -50.11 -46.69 53.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.823 HD12 ' O ' ' A' ' 109' ' ' LYS . 1.5 mt -54.32 -31.2 22.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 111' ' ' ASN . . . -74.4 -60.91 2.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.248 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.598 ' CE1' ' O ' ' A' ' 31' ' ' GLY . 0.6 OUTLIER -50.29 -32.67 17.58 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.795 -179.82 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.695 HD13 ' CD ' ' A' ' 75' ' ' PRO . 10.0 mt -73.07 -41.51 64.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.367 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.854 ' O ' HD12 ' A' ' 117' ' ' LEU . 1.3 pp -90.82 20.87 4.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.419 ' O ' HG23 ' A' ' 120' ' ' THR . 1.7 m -105.36 -71.94 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 110.396 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -62.39 125.43 23.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.332 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.419 HG23 ' O ' ' A' ' 118' ' ' THR . 42.7 p -114.71 44.57 1.73 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 110.411 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.51 149.5 1.1 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -70.04 167.91 23.45 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.329 3.352 . . . . 0.0 109.584 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 124' ' ' LYS . 1.7 m -69.77 -58.38 3.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.393 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 123' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' HEC . . . . . 0.711 HMB1 HBB3 ' A' ' 125' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.46 ' HA ' ' HB3' ' A' ' 5' ' ' ALA . 53.5 t -51.98 -40.14 27.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.6 m -41.12 -45.48 2.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.383 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.514 ' N ' ' ND2' ' A' ' 4' ' ' ASN . 0.4 OUTLIER -78.45 -48.18 15.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.46 ' HB3' ' HA ' ' A' ' 2' ' ' VAL . . . -49.34 -49.6 43.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -58.5 -40.69 83.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.45 -50.49 73.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.675 HD21 ' CG1' ' A' ' 85' ' ' ILE . 6.1 mt -54.23 -52.59 60.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.516 HG21 HD21 ' A' ' 117' ' ' LEU . 87.3 t -54.11 -47.34 66.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.312 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -77.68 4.92 10.33 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.809 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.5 mmtt -110.64 -72.36 0.72 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.153 . . . . 0.0 109.276 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.484 ' HE2' HD13 ' A' ' 8' ' ' LEU . 97.9 m-85 -51.39 -21.38 2.25 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.844 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.428 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 29.2 m -76.09 -48.09 22.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 110.392 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.408 ' O ' ' N ' ' A' ' 18' ' ' SER . 54.0 t-20 -62.94 -52.73 61.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.0 mt -50.71 -45.21 27.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.68 -37.75 88.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.508 ' ND1' ' O ' ' A' ' 23' ' ' TYR . 33.2 t60 -71.38 -27.11 63.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.57 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 14' ' ' ASN . 46.0 t -72.61 -25.12 61.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.064 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.78 -35.07 14.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.42 ' ND2' ' HG3' ' A' ' 22' ' ' MET . 0.1 OUTLIER -138.23 117.73 9.81 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.323 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -80.13 41.05 1.05 Allowed 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.362 3.375 . . . . 0.0 109.594 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.42 ' HG3' ' ND2' ' A' ' 20' ' ' ASN . 1.4 mtp -142.3 35.88 1.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 111.009 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.508 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 58.5 t80 -149.47 117.66 6.4 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.824 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -96.92 -46.91 6.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.307 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.678 ' HB1' ' CD ' ' A' ' 26' ' ' PRO . . . -167.14 176.45 1.73 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.678 ' CD ' ' HB1' ' A' ' 25' ' ' ALA . 15.6 Cg_exo -71.28 -171.21 0.57 Allowed 'Trans proline' 0 N--CA 1.446 -1.268 0 C-N-CA 124.348 3.365 . . . . 0.0 109.633 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.99 24.47 0.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.971 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 36.7 pt 42.51 49.44 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.253 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 39.5 m -131.29 -52.01 1.02 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.148 . . . . 0.0 110.351 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.33 -39.06 72.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.098 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.401 ' O ' ' CG ' ' A' ' 115' ' ' TYR . . . -71.79 58.46 1.33 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.525 1.14 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.504 ' HG2' ' CZ ' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -154.18 -63.57 0.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 0.784 . . . . 0.0 109.278 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 30.0 mt -78.17 -43.51 27.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -57.13 -22.04 37.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.962 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.598 ' CD1' ' CB ' ' A' ' 49' ' ' CYS . 87.2 t80 -106.81 7.05 30.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 111.013 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -143.57 26.84 1.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.468 ' O ' ' N ' ' A' ' 39' ' ' PHE . 2.4 tpm_? -103.92 93.69 5.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -47.32 94.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.612 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 26.8 p90 -101.45 163.43 12.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.15 134.53 53.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.426 ' HB ' ' HD2' ' A' ' 42' ' ' PRO . 23.0 p -84.05 154.59 63.98 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.378 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.814 ' HG3' ' HA3' ' A' ' 101' ' ' GLY . 61.6 Cg_endo -64.73 -6.03 11.58 Favored 'Trans proline' 0 N--CA 1.446 -1.29 0 C-N-CA 124.334 3.356 . . . . 0.0 109.61 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.8 p -98.27 8.93 44.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.073 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.03 75.46 0.5 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.445 1.091 . . . . 0.0 111.006 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -170.58 136.37 1.25 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 0.777 . . . . 0.0 109.318 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -91.02 122.33 33.59 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 110.316 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.94 -177.11 4.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.426 1.079 . . . . 0.0 109.37 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.612 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -167.07 155.06 9.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.108 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.598 ' CB ' ' CD1' ' A' ' 35' ' ' PHE . 31.0 m -68.78 -9.29 50.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 108.342 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.423 ' HA ' ' O ' ' A' ' 54' ' ' THR . . . -106.61 3.19 26.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.409 ' HB2' ' O ' ' A' ' 48' ' ' ALA . 0.4 OUTLIER -83.61 -18.05 39.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.994 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 57.4 m -125.17 -46.28 1.81 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 108.354 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.912 ' CE1' HD23 ' A' ' 73' ' ' LEU . 74.4 m-70 -91.67 16.91 9.66 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.759 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.523 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 43.2 p 50.65 168.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.391 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.407 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 9.0 p30 -51.88 -25.82 8.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -129.05 123.39 21.78 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.522 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 55.2 Cg_endo -68.98 -38.79 8.98 Favored 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.3 3.333 . . . . 0.0 109.652 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.627 ' HA ' ' HB2' ' A' ' 74' ' ' ALA . . . -59.6 -14.68 14.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -93.22 169.16 10.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 27.6 t -70.13 136.12 26.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.351 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -109.52 -178.64 21.21 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.552 1.158 . . . . 0.0 110.96 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.0 ttmm -156.56 136.96 13.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 0.774 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.922 ' ND2' HD11 ' A' ' 70' ' ' ILE . 87.0 m-20 -87.01 130.57 34.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.5 pt -85.99 9.7 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.348 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 61.7 t -91.48 -55.34 6.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 71.3 p -109.03 -33.3 6.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.403 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 79.71 35.18 29.19 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -78.14 -92.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 0.0 109.298 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -179.01 119.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.294 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.922 HD11 ' ND2' ' A' ' 63' ' ' ASN . 3.2 mm -108.93 122.9 38.56 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -70.94 160.03 50.64 Favored 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.327 3.352 . . . . 0.0 109.608 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.412 ' HB3' ' O ' ' A' ' 58' ' ' ALA . 4.6 Cg_endo -45.67 129.64 11.74 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.33 3.353 . . . . 0.0 109.573 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.912 HD23 ' CE1' ' A' ' 53' ' ' HIS . 0.1 OUTLIER -75.68 -29.79 59.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.304 -179.914 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.627 ' HB2' ' HA ' ' A' ' 58' ' ' ALA . . . -30.48 108.39 0.25 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.567 ' HB2' ' CD2' ' A' ' 82' ' ' PHE . 81.3 Cg_endo -79.32 44.25 1.66 Allowed 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 124.329 3.353 . . . . 0.0 109.612 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.9 ttp85 -157.19 -54.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.312 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.463 HG12 ' OD1' ' A' ' 78' ' ' ASN . 14.3 t -40.82 -42.91 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.481 ' N ' ' OD1' ' A' ' 78' ' ' ASN . 0.2 OUTLIER -100.54 154.0 18.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.5 p -94.67 3.9 54.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.408 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.54 49.81 1.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 50.3 mmt-85 -140.71 157.06 45.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 110.308 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.567 ' CD2' ' HB2' ' A' ' 75' ' ' PRO . 3.7 m-30 44.98 51.11 8.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 91.1 m -81.39 -61.79 1.84 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 110.436 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -87.24 94.07 9.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.341 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.675 ' CG1' HD21 ' A' ' 8' ' ' LEU . 13.7 tt -63.94 -12.7 12.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -76.99 -65.89 0.89 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.252 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.88 58.25 3.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.122 . . . . 0.0 109.292 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -140.77 -39.49 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.348 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.32 -42.7 79.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -69.53 -46.17 67.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.407 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 3.4 mm-40 -55.67 -19.87 12.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.628 ' CZ ' ' CMA' ' A' ' 125' ' ' HEC . 0.2 OUTLIER -83.4 -23.0 32.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.963 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.411 ' OG1' ' CG ' ' A' ' 103' ' ' ASP . 1.0 OUTLIER -92.0 -32.6 15.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.395 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.85 -32.86 63.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.578 1.173 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.566 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.4 t60 -66.13 -58.12 6.14 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.754 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.423 ' C ' ' O ' ' A' ' 102' ' ' ALA . 6.2 m -56.13 -26.15 49.0 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.617 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.462 ' HA ' ' N ' ' A' ' 102' ' ' ALA . 1.8 m-80 -78.0 -13.49 59.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.573 1.171 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -118.54 6.5 11.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.566 HG13 ' CE1' ' A' ' 95' ' ' HIS . 18.3 mm -121.88 -48.2 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.545 HD12 ' SG ' ' A' ' 104' ' ' CYS . 48.0 mt -102.7 -25.26 13.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.814 ' HA3' ' HG3' ' A' ' 42' ' ' PRO . . . 102.91 10.86 36.16 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.527 1.142 . . . . 0.0 110.962 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.462 ' N ' ' HA ' ' A' ' 97' ' ' ASN . . . -166.51 -176.76 3.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.433 0.725 . . . . 0.0 109.311 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.411 ' CG ' ' OG1' ' A' ' 93' ' ' THR . 47.0 t0 -85.19 132.5 34.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.545 ' SG ' HD12 ' A' ' 100' ' ' LEU . 55.9 m -73.9 160.55 31.24 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.6 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.1 m -72.14 141.64 84.01 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.984 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -61.09 -16.41 45.74 Favored 'Trans proline' 0 N--CA 1.446 -1.285 0 C-N-CA 124.342 3.362 . . . . 0.0 109.601 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 60.8 p -89.45 -38.89 13.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.976 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -61.7 -23.08 65.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 110.315 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.454 ' C ' ' N ' ' A' ' 111' ' ' ASN . 36.8 mtmt -88.01 -56.9 3.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.464 ' HB2' ' CB ' ' A' ' 12' ' ' TYR . . . -40.28 -29.44 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.454 ' N ' ' C ' ' A' ' 109' ' ' LYS . 0.3 OUTLIER -79.49 -58.1 3.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.665 ' CE2' HD22 ' A' ' 116' ' ' LEU . 78.9 t80 -46.55 -44.58 18.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.978 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.564 ' O ' HD23 ' A' ' 117' ' ' LEU . 1.3 mt -56.93 -35.94 48.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 117' ' ' LEU . . . -67.35 -67.79 0.43 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.15 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.504 ' CZ ' ' HG2' ' A' ' 32' ' ' LYS . 1.3 t80 -45.02 -31.11 1.2 Allowed 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.796 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.665 HD22 ' CE2' ' A' ' 112' ' ' PHE . 0.4 OUTLIER -73.21 -40.96 64.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.773 ' O ' HD12 ' A' ' 117' ' ' LEU . 1.1 pp -92.31 23.12 4.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.634 ' O ' HG23 ' A' ' 118' ' ' THR . 0.5 OUTLIER -120.49 17.35 12.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.45 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -133.4 119.21 19.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 28.0 p -116.46 29.33 8.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 110.371 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.98 149.97 1.57 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -72.25 167.17 27.6 Favored 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.36 3.373 . . . . 0.0 109.568 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 64.7 m -99.28 -60.24 1.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.376 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 1.6 mtmt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 -179.984 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' HEC . . . . . 0.628 ' CMA' ' CZ ' ' A' ' 92' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.751 ' C ' HG23 ' A' ' 2' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.751 HG23 ' C ' ' A' ' 1' ' ' ASP . 2.9 t 86.73 -41.21 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.249 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.1 m -42.12 -39.38 1.98 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 110.348 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.506 ' N ' ' ND2' ' A' ' 4' ' ' ASN . 0.3 OUTLIER -81.87 -50.48 9.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.949 ' HB1' HD21 ' A' ' 117' ' ' LEU . . . -51.9 -52.12 52.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -60.67 -35.46 76.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.29 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 11' ' ' LYS . 0.7 OUTLIER -62.63 -50.35 71.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.788 HD11 ' CG1' ' A' ' 88' ' ' VAL . 6.5 mt -52.38 -45.6 65.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.336 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.519 HG22 HG22 ' A' ' 113' ' ' ILE . 82.7 t -58.81 -56.84 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.255 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -69.38 -5.03 20.83 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.813 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 7' ' ' LYS . 19.3 mmtt -97.73 -72.05 0.66 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.353 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.791 ' CB ' ' HB2' ' A' ' 110' ' ' ALA . 74.7 m-85 -52.48 -21.06 3.35 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.859 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.48 ' CG2' ' O ' ' A' ' 24' ' ' GLU . 24.1 m -77.27 -49.86 14.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.38 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.53 -54.99 39.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.7 mt -50.74 -51.77 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.94 -56.83 10.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.406 ' HA ' ' O ' ' A' ' 20' ' ' ASN . 72.6 t60 -59.64 -31.44 69.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.648 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 43.3 t -70.34 -14.16 62.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.017 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -101.48 -40.92 6.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.406 ' O ' ' HA ' ' A' ' 17' ' ' HIS . 1.0 OUTLIER -139.13 126.15 12.88 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.33 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -70.11 -3.27 11.9 Favored 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.282 3.321 . . . . 0.0 109.602 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -82.91 -41.17 19.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -82.81 129.53 35.0 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.818 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.48 ' O ' ' CG2' ' A' ' 13' ' ' THR . 2.7 mt-10 -121.76 -44.1 2.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.272 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.679 ' HB1' ' CD ' ' A' ' 26' ' ' PRO . . . -165.52 176.35 2.03 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.679 ' CD ' ' HB1' ' A' ' 25' ' ' ALA . 13.4 Cg_exo -72.17 173.77 12.45 Favored 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.332 3.354 . . . . 0.0 109.618 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.441 ' C ' ' N ' ' A' ' 29' ' ' THR . 0.1 OUTLIER -145.09 18.46 1.59 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 109.988 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.468 ' C ' ' CE2' ' A' ' 115' ' ' TYR . 24.0 pt 40.21 29.91 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.322 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.573 HG22 ' O ' ' A' ' 29' ' ' THR . 2.0 m -138.94 11.8 2.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 110.365 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.84 -37.32 3.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.456 ' N ' ' OD1' ' A' ' 111' ' ' ASN . . . -77.85 53.6 3.72 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.515 1.134 . . . . 0.0 111.019 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.502 ' HG2' ' CZ ' ' A' ' 115' ' ' TYR . 0.1 OUTLIER -134.51 -65.98 0.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 0.75 . . . . 0.0 109.317 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 43.9 mt -67.39 -28.93 43.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.255 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.446 ' CZ ' ' OE1' ' A' ' 108' ' ' GLU . 45.7 t80 -71.59 -19.05 62.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.968 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.58 ' CD1' ' HB2' ' A' ' 49' ' ' CYS . 81.2 t80 -107.99 7.23 27.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.59 1.181 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 32' ' ' LYS . 3.7 m-80 -137.32 21.18 2.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.258 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.3 ttt85 -96.96 115.34 27.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.307 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.8 ttmm -71.01 97.68 1.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.418 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 32.1 p90 -106.21 162.74 13.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 111.023 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.424 ' HG2' ' N ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -106.75 137.87 43.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -111.11 149.04 39.92 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.405 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -80.54 45.47 1.99 Allowed 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 124.35 3.367 . . . . 0.0 109.621 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.5 t 179.69 57.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.025 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 151.04 -98.36 0.18 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.491 1.119 . . . . 0.0 111.03 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.522 ' O ' ' C ' ' A' ' 46' ' ' GLU . 0.1 OUTLIER 175.72 172.7 0.32 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 0.754 . . . . 0.0 109.311 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.522 ' C ' ' O ' ' A' ' 45' ' ' LYS . 0.2 OUTLIER -28.14 136.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.295 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -149.07 -170.2 3.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.432 ' O ' HMC3 ' A' ' 125' ' ' HEC . . . -171.87 148.64 2.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.259 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.58 ' HB2' ' CD1' ' A' ' 35' ' ' PHE . 33.6 m -62.25 -15.3 46.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 108.293 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.433 ' HA ' ' O ' ' A' ' 54' ' ' THR . . . -98.6 4.08 48.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 109.34 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.481 ' OG ' ' CMC' ' A' ' 125' ' ' HEC . 83.7 p -75.77 -27.26 57.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 109.995 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 65.6 m -120.18 -47.09 2.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.163 . . . . 0.0 108.324 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.511 ' O ' ' OG1' ' A' ' 54' ' ' THR . 65.4 m-70 -84.22 14.62 4.14 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.76 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.511 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 45.6 p 50.06 172.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 110.369 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -52.41 -23.38 5.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.246 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -133.33 128.49 20.32 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.503 ' CB ' HD23 ' A' ' 73' ' ' LEU . 83.6 Cg_endo -72.81 -40.67 1.8 Allowed 'Trans proline' 0 N--CA 1.448 -1.169 0 C-N-CA 124.317 3.345 . . . . 0.0 109.585 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.418 ' HA ' ' HB2' ' A' ' 74' ' ' ALA . . . -57.63 -16.61 11.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 109.305 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.559 ' ND2' ' OXT' ' A' ' 124' ' ' LYS . 12.6 t-20 -88.98 173.83 8.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.1 t -75.71 118.94 22.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.456 ' HA2' HG23 ' A' ' 54' ' ' THR . . . -89.5 -174.53 46.0 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.487 1.117 . . . . 0.0 111.036 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -161.39 135.63 6.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 0.754 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.943 ' ND2' HD11 ' A' ' 70' ' ' ILE . 87.2 m-20 -86.5 129.57 34.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 7.5 pt -83.42 5.91 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 71.0 t -86.24 -55.02 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.344 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 67.7 p -108.01 -33.31 7.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.105 . . . . 0.0 110.39 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 81.07 36.97 20.13 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.7 -95.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.771 . . . . 0.0 109.338 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -178.62 122.86 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.332 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.943 HD11 ' ND2' ' A' ' 63' ' ' ASN . 3.0 mm -108.42 107.12 59.86 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.415 ' HB3' ' HD2' ' A' ' 72' ' ' PRO . 77.8 Cg_exo -49.84 165.76 0.29 Allowed 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 124.282 3.322 . . . . 0.0 109.651 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.439 ' O ' ' ND2' ' A' ' 78' ' ' ASN . 1.4 Cg_endo -42.47 126.69 4.09 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.337 3.358 . . . . 0.0 109.575 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.503 HD23 ' CB ' ' A' ' 57' ' ' PRO . 7.4 tp -76.89 -31.49 56.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.629 ' HB3' ' HB ' ' A' ' 77' ' ' VAL . . . -37.98 98.28 0.16 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.604 ' HB3' ' CD1' ' A' ' 82' ' ' PHE . 24.0 Cg_exo -63.3 -15.97 51.57 Favored 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.378 3.385 . . . . 0.0 109.603 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.491 ' NH1' HG21 ' A' ' 120' ' ' THR . 5.6 ttt180 -96.92 -44.36 7.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.321 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.629 ' HB ' ' HB3' ' A' ' 74' ' ' ALA . 41.5 t -54.85 -40.51 52.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 72' ' ' PRO . 0.5 OUTLIER -93.86 136.49 34.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.279 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.3 p -84.79 -3.61 58.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.374 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 11.9 mttm -111.15 43.75 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.248 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.473 ' CB ' ' HA ' ' A' ' 75' ' ' PRO . 46.6 mmt-85 -144.65 170.38 16.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.293 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.604 ' CD1' ' HB3' ' A' ' 75' ' ' PRO . 1.9 m-30 37.92 68.54 0.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 11.7 m -108.32 -68.44 0.91 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.443 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 52.9 t0 -76.64 114.47 15.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.48 ' CG1' ' HB3' ' A' ' 4' ' ' ASN . 9.3 mt -61.93 -41.63 91.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.56 -70.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 88' ' ' VAL . 7.5 tttt -45.6 -66.61 0.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.788 ' CG1' HD11 ' A' ' 8' ' ' LEU . 0.9 OUTLIER -37.86 -41.04 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.317 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -98.85 72.3 1.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.317 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -174.46 -68.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.348 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.495 ' HG3' ' N ' ' A' ' 92' ' ' PHE . 7.0 pt-20 -57.44 -36.67 71.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.594 ' CZ ' ' CMA' ' A' ' 125' ' ' HEC . 0.1 OUTLIER -47.1 -32.85 4.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.671 HG23 ' CG ' ' A' ' 103' ' ' ASP . 0.9 OUTLIER -85.0 -44.62 12.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.411 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.12 -23.1 66.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.461 ' O ' ' CG1' ' A' ' 99' ' ' ILE . 1.9 t60 -68.98 -56.73 6.89 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.784 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 21.0 m -62.2 -30.52 71.14 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.331 -0.85 . . . . 0.0 109.571 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -76.86 -16.74 59.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -119.5 15.9 12.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.461 ' CG1' ' O ' ' A' ' 95' ' ' HIS . 7.0 mm -131.76 -44.95 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.5 mt -103.77 -36.97 7.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 111.21 18.53 8.12 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.508 1.13 . . . . 0.0 110.969 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -163.85 -176.48 4.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 0.789 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.671 ' CG ' HG23 ' A' ' 93' ' ' THR . 2.3 t0 -97.25 109.11 21.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.409 ' O ' ' O ' ' A' ' 103' ' ' ASP . 6.1 m -43.41 164.91 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.59 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.462 ' O ' ' HG3' ' A' ' 108' ' ' GLU . 10.4 p -84.13 153.24 62.88 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.997 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.402 ' HD2' ' HB2' ' A' ' 105' ' ' SER . 43.1 Cg_endo -69.69 -8.96 24.95 Favored 'Trans proline' 0 N--CA 1.446 -1.278 0 C-N-CA 124.328 3.352 . . . . 0.0 109.615 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 60.5 p -93.46 -46.45 7.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 0.0 109.99 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.47 ' C ' ' CD ' ' A' ' 108' ' ' GLU . 1.6 pp20? -64.8 -19.71 65.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.3 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.547 ' HD2' ' CD1' ' A' ' 92' ' ' PHE . 2.8 tppp? -75.8 -62.88 1.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.791 ' HB2' ' CB ' ' A' ' 12' ' ' TYR . . . -51.3 -26.09 6.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.456 ' OD1' ' N ' ' A' ' 31' ' ' GLY . 5.7 t-20 -72.14 -64.13 1.0 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.334 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.867 ' CE2' HD11 ' A' ' 116' ' ' LEU . 89.5 t80 -43.67 -45.65 7.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 110.959 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.519 HG22 HG22 ' A' ' 9' ' ' VAL . 1.9 mt -55.48 -42.07 66.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 116' ' ' LEU . . . -60.13 -73.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.502 ' CZ ' ' HG2' ' A' ' 32' ' ' LYS . 0.2 OUTLIER -39.55 -29.02 0.05 OUTLIER 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.047 -0.979 . . . . 0.0 109.841 -179.938 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.867 HD11 ' CE2' ' A' ' 112' ' ' PHE . 13.8 mt -76.24 -51.51 11.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.949 HD21 ' HB1' ' A' ' 5' ' ' ALA . 11.8 mt -64.83 -19.95 66.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -85.66 -27.66 25.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 110.42 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -85.48 98.63 10.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.328 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.491 HG21 ' NH1' ' A' ' 76' ' ' ARG . 16.8 p -122.7 5.42 9.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.382 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -131.66 96.88 19.91 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -47.49 175.02 0.02 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.316 3.344 . . . . 0.0 109.581 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 19.9 p -139.64 49.02 1.81 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.412 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.559 ' OXT' ' ND2' ' A' ' 59' ' ' ASN . 2.8 mtpm? . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 109.29 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' HEC . . . . . 0.747 HMB1 HBB3 ' A' ' 125' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.2 t0 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.483 ' HA ' ' HB3' ' A' ' 5' ' ' ALA . 54.7 t -60.2 -39.03 79.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.1 m -38.54 -48.77 1.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.345 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.712 ' CG ' HD11 ' A' ' 85' ' ' ILE . 0.5 OUTLIER -75.4 -46.1 34.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.483 ' HB3' ' HA ' ' A' ' 2' ' ' VAL . . . -49.81 -47.87 51.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -66.89 -32.15 73.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 110.336 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.54 -46.57 72.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 0.0 109.256 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.415 HD11 HG11 ' A' ' 88' ' ' VAL . 6.9 mt -55.39 -49.31 72.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.261 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.51 HG21 HD21 ' A' ' 117' ' ' LEU . 73.5 t -57.01 -51.02 74.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -71.33 -3.32 20.01 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.791 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -102.14 -73.4 0.66 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.832 ' HB2' ' HB2' ' A' ' 110' ' ' ALA . 81.7 m-85 -48.77 -22.79 0.87 Allowed 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.855 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.437 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 48.2 m -77.61 -50.62 12.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.38 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -59.89 -54.09 50.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.0 mt -49.02 -48.95 16.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.457 ' O ' ' ND2' ' A' ' 20' ' ' ASN . . . -60.19 -51.06 71.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.447 ' ND1' ' O ' ' A' ' 23' ' ' TYR . 72.4 t60 -58.01 -29.32 65.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.595 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 28.0 t -71.07 -23.67 62.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.0 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -87.92 -37.98 15.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 16' ' ' ALA . 0.2 OUTLIER -140.33 129.17 13.14 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -84.87 40.82 0.87 Allowed 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 124.303 3.335 . . . . 0.0 109.627 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.4 ptt? -141.39 32.56 1.69 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 111.037 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.447 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 77.8 t80 -153.11 111.76 3.71 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.849 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -93.15 -47.98 6.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 0.0 110.345 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.662 ' HB1' ' CD ' ' A' ' 26' ' ' PRO . . . -165.35 175.83 2.28 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.662 ' CD ' ' HB1' ' A' ' 25' ' ' ALA . 16.8 Cg_exo -70.83 -174.04 1.02 Allowed 'Trans proline' 0 N--CA 1.447 -1.255 0 C-N-CA 124.336 3.357 . . . . 0.0 109.609 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.48 20.35 0.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.954 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.689 HG21 HG21 ' A' ' 118' ' ' THR . 31.4 pt 41.76 49.1 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.416 HG22 ' O ' ' A' ' 29' ' ' THR . 89.0 m -151.94 35.82 0.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.117 . . . . 0.0 110.335 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -142.24 -47.12 0.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.354 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -49.35 -23.75 4.6 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 111.035 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.424 ' HD2' ' N ' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -74.94 -42.05 58.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 0.751 . . . . 0.0 109.319 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.596 HG23 ' O ' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -88.26 7.83 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.513 ' CG ' ' O ' ' A' ' 34' ' ' PHE . 80.0 t80 -126.47 31.23 5.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.569 ' CD1' ' HB2' ' A' ' 49' ' ' CYS . 34.2 t80 -146.46 -40.66 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -100.76 -5.23 26.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.42 ' HD2' HD12 ' A' ' 33' ' ' ILE . 22.3 ttt85 -68.15 96.48 0.64 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -55.41 100.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.575 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 29.0 p90 -106.26 162.25 13.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 110.965 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.6 ttmt -103.59 153.44 20.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 43.6 p -107.97 153.46 41.67 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 110.429 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.787 ' HG3' ' HA3' ' A' ' 101' ' ' GLY . 64.0 Cg_endo -65.13 -7.84 16.68 Favored 'Trans proline' 0 N--CA 1.447 -1.259 0 C-N-CA 124.342 3.361 . . . . 0.0 109.625 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 p -104.15 32.75 3.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 110.003 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 38.48 78.57 0.05 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.455 1.097 . . . . 0.0 111.021 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.6 tttp -179.84 88.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 0.781 . . . . 0.0 109.266 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.67 153.51 0.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -160.93 -169.26 2.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.575 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -172.82 157.5 3.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.569 ' HB2' ' CD1' ' A' ' 35' ' ' PHE . 49.5 m -72.93 -10.34 59.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 108.31 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.444 ' HA ' ' O ' ' A' ' 54' ' ' THR . . . -102.27 1.69 36.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.401 ' HB2' ' O ' ' A' ' 48' ' ' ALA . 0.4 OUTLIER -81.73 -15.27 54.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.99 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 26.4 m -128.61 -48.01 1.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 108.261 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.494 ' O ' ' O ' ' A' ' 54' ' ' THR . 84.3 m-70 -89.76 17.82 6.2 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.761 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.573 HG23 ' HA2' ' A' ' 61' ' ' GLY . 66.2 p 49.39 172.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 110.362 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -56.78 -24.08 47.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.107 . . . . 0.0 109.269 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -131.65 126.94 21.26 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.367 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -71.32 -41.66 2.36 Favored 'Trans proline' 0 N--CA 1.447 -1.237 0 C-N-CA 124.281 3.321 . . . . 0.0 109.641 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.23 -17.37 7.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.271 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -89.42 172.91 8.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.703 HG22 ' HD3' ' A' ' 72' ' ' PRO . 74.1 t -76.07 121.8 28.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.573 ' HA2' HG23 ' A' ' 54' ' ' THR . . . -88.97 -173.6 46.59 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.507 1.129 . . . . 0.0 111.002 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.7 ttmt -163.96 135.08 4.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 0.792 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.881 ' ND2' HD11 ' A' ' 70' ' ' ILE . 90.4 m-20 -86.61 130.12 34.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.6 pt -84.56 6.22 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 58.8 t -87.43 -53.52 9.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.268 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 71.1 p -108.99 -33.34 6.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 110.428 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 80.86 35.6 24.4 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.467 1.104 . . . . 0.0 111.025 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.406 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 2.4 mmtp -81.35 -95.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 0.772 . . . . 0.0 109.244 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.406 ' HB3' ' O ' ' A' ' 68' ' ' LYS . 12.0 pt-20 -179.95 123.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.881 HD11 ' ND2' ' A' ' 63' ' ' ASN . 1.8 mm -114.78 92.26 29.1 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.404 ' HD3' ' O ' ' A' ' 69' ' ' GLU . 75.1 Cg_exo -45.73 164.82 0.07 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.321 3.347 . . . . 0.0 109.607 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.703 ' HD3' HG22 ' A' ' 60' ' ' VAL . 75.0 Cg_exo -34.2 134.41 0.13 Allowed 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.319 3.346 . . . . 0.0 109.626 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.51 ' CD1' ' O1D' ' A' ' 125' ' ' HEC . 7.1 tp -98.56 -26.56 14.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 73' ' ' LEU . . . -35.88 115.67 0.6 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.567 ' HB2' ' CD2' ' A' ' 82' ' ' PHE . 72.2 Cg_endo -80.32 45.26 1.92 Allowed 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.299 3.333 . . . . 0.0 109.594 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 10.7 ttt180 -154.37 -57.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 110.26 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.48 HG12 ' OD1' ' A' ' 78' ' ' ASN . 18.9 t -44.85 -41.07 2.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.48 ' OD1' HG12 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -103.72 141.77 35.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 16.9 p -85.07 -0.49 54.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.434 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.48 43.8 1.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.259 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 38.6 mmt-85 -142.73 162.41 35.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.567 ' CD2' ' HB2' ' A' ' 75' ' ' PRO . 2.1 m-30 39.08 57.81 1.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 111.034 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.729 HG22 ' O ' ' A' ' 83' ' ' THR . 1.7 m -129.62 54.62 1.82 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.372 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.435 ' C ' ' N ' ' A' ' 86' ' ' ASP . 39.9 p-10 177.31 66.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.712 HD11 ' CG ' ' A' ' 4' ' ' ASN . 4.3 mp -40.28 -30.07 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.435 ' N ' ' C ' ' A' ' 84' ' ' ASP . 0.6 OUTLIER -54.95 -69.98 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.9 mttp -75.95 66.31 2.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.333 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.415 HG11 HD11 ' A' ' 8' ' ' LEU . 1.1 t -150.76 -49.85 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.39 59.97 0.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.315 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 170.22 -45.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.265 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -58.43 -16.36 14.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.707 ' CZ ' ' CMA' ' A' ' 125' ' ' HEC . 0.2 OUTLIER -91.86 -23.14 19.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.997 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.492 ' CG2' ' OD2' ' A' ' 103' ' ' ASP . 1.0 OUTLIER -90.0 -36.67 14.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.432 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt -70.55 -28.82 65.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.477 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.2 t60 -70.88 -59.33 2.85 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.768 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.4 ' C ' ' O ' ' A' ' 102' ' ' ALA . 10.1 m -55.85 -22.23 24.04 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.342 -0.844 . . . . 0.0 109.619 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -83.62 -11.07 57.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.467 ' O ' HD13 ' A' ' 99' ' ' ILE . 0.5 OUTLIER -120.78 9.19 10.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.477 HG13 ' CE1' ' A' ' 95' ' ' HIS . 45.8 mm -125.64 -44.43 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.419 ' O ' ' HD3' ' A' ' 42' ' ' PRO . 50.3 mt -105.2 -29.21 10.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.787 ' HA3' ' HG3' ' A' ' 42' ' ' PRO . . . 103.64 13.94 26.66 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.118 . . . . 0.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 96' ' ' CYS . . . -164.09 -176.69 4.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 0.755 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.492 ' OD2' ' CG2' ' A' ' 93' ' ' THR . 28.9 t0 -90.95 125.52 35.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 25.3 m -62.31 160.52 13.08 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.583 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.0 m -74.78 145.62 81.87 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.477 1.111 . . . . 0.0 109.974 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -60.48 -17.58 48.9 Favored 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 124.32 3.347 . . . . 0.0 109.585 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 78.3 p -86.78 -40.62 14.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.982 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -70.17 -8.18 47.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.345 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.662 ' O ' HD12 ' A' ' 113' ' ' ILE . 0.1 OUTLIER -83.38 -60.54 2.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.832 ' HB2' ' HB2' ' A' ' 12' ' ' TYR . . . -55.62 -34.15 64.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -57.35 -64.39 0.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.655 ' CE2' HD11 ' A' ' 116' ' ' LEU . 70.8 t80 -49.8 -43.22 48.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.662 HD12 ' O ' ' A' ' 109' ' ' LYS . 1.7 mt -56.29 -38.68 56.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 117' ' ' LEU . . . -66.22 -68.5 0.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.417 ' CZ ' ' HB3' ' A' ' 32' ' ' LYS . 0.3 OUTLIER -44.58 -34.56 2.19 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.021 -0.991 . . . . 0.0 109.832 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.655 HD11 ' CE2' ' A' ' 112' ' ' PHE . 7.9 mt -70.78 -41.86 71.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.886 ' O ' HD12 ' A' ' 117' ' ' LEU . 1.1 pp -90.78 17.69 7.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.689 HG21 HG21 ' A' ' 28' ' ' ILE . 23.2 m -129.14 -76.89 0.55 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.4 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -91.78 75.22 5.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.281 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.409 ' HG1' HG23 ' A' ' 77' ' ' VAL . 0.1 OUTLIER -125.12 64.83 1.14 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 110.36 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -132.77 146.93 63.45 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -81.28 166.01 18.54 Favored 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.318 3.346 . . . . 0.0 109.596 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 3.0 m -107.77 -63.14 1.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 110.445 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.33 -179.99 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' HEC . . . . . 0.707 ' CMA' ' CZ ' ' A' ' 92' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.493 HG13 ' NH2' ' A' ' 76' ' ' ARG . 54.4 t -51.94 -46.23 41.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.9 m -47.95 -28.52 2.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.1 . . . . 0.0 110.438 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.937 ' HB3' HD12 ' A' ' 85' ' ' ILE . 0.9 OUTLIER -90.42 -54.98 3.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.921 ' HB1' HD21 ' A' ' 117' ' ' LEU . . . -49.36 -51.03 37.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.7 tp10 -52.58 -40.88 63.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 110.272 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.417 ' HD2' ' N ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -62.7 -54.24 42.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.28 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.455 ' HG ' HD11 ' A' ' 85' ' ' ILE . 11.5 mt -47.93 -39.81 20.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 5' ' ' ALA . 44.4 t -67.02 -49.56 72.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -71.51 -2.7 17.75 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.835 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.8 mptt -104.71 -75.79 0.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.528 ' CB ' ' HB2' ' A' ' 110' ' ' ALA . 59.5 m-85 -45.35 -25.15 0.36 Allowed 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.843 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.443 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 54.1 m -74.94 -55.46 5.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.347 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -54.55 -56.51 18.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.7 mt -47.48 -50.95 7.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.18 -48.54 78.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.448 ' ND1' ' O ' ' A' ' 23' ' ' TYR . 74.2 t60 -62.11 -31.39 71.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.592 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 37.6 t -70.34 -20.47 62.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.004 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -97.31 -33.68 11.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.417 ' ND2' ' HG2' ' A' ' 22' ' ' MET . 0.1 OUTLIER -138.0 115.42 9.42 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -77.89 41.88 1.08 Allowed 'Trans proline' 0 N--CA 1.448 -1.178 0 C-N-CA 124.284 3.322 . . . . 0.0 109.61 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.417 ' HG2' ' ND2' ' A' ' 20' ' ' ASN . 9.5 ptm -144.49 33.02 1.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 111.021 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.448 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 72.7 t80 -152.6 114.96 4.46 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 114.953 -1.021 . . . . 0.0 109.825 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -95.75 -48.65 5.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.313 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.687 ' HB1' ' CD ' ' A' ' 26' ' ' PRO . . . -160.76 176.8 2.33 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.425 1.078 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.687 ' CD ' ' HB1' ' A' ' 25' ' ' ALA . 24.6 Cg_exo -68.04 167.22 22.31 Favored 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.37 3.38 . . . . 0.0 109.606 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.412 ' O ' ' CG1' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -132.45 13.64 4.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.954 -179.924 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.412 ' CG1' ' O ' ' A' ' 27' ' ' SER . 46.2 pt 44.7 56.61 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 52.0 m -140.46 -53.51 0.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.407 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -64.61 -27.12 68.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.152 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.533 ' HA3' ' CD2' ' A' ' 115' ' ' TYR . . . -70.5 57.95 0.91 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.468 1.105 . . . . 0.0 110.987 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.505 ' HG2' ' CZ ' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -156.01 -64.64 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 0.756 . . . . 0.0 109.298 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 55.6 mt -63.62 -52.17 60.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -54.34 -20.59 7.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 111.012 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.427 ' O ' ' OD1' ' A' ' 36' ' ' ASN . 82.1 t80 -108.13 5.77 26.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 110.966 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.427 ' OD1' ' O ' ' A' ' 35' ' ' PHE . 84.2 m-20 -143.81 27.57 1.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -107.8 94.86 5.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.279 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.4 ttpp -49.49 94.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.567 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 24.4 p90 -98.49 164.5 12.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 67.6 tttt -107.42 140.68 39.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.418 ' HB ' ' HD2' ' A' ' 42' ' ' PRO . 19.4 p -97.36 154.24 38.11 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.378 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.778 ' HG3' ' HA3' ' A' ' 101' ' ' GLY . 58.6 Cg_endo -63.96 -7.62 13.81 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.332 3.355 . . . . 0.0 109.556 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 44' ' ' GLY . 1.1 p -105.31 32.42 4.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.035 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 43' ' ' SER . . . 37.7 81.68 0.02 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 179.53 82.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 0.746 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -41.68 153.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -164.36 -176.04 4.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.567 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -162.09 155.95 21.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.511 ' O ' ' HB2' ' A' ' 53' ' ' HIS . 85.8 m -69.8 -9.48 54.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 108.302 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.549 ' HB1' ' HA ' ' A' ' 55' ' ' ASN . . . -110.44 10.51 23.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.58 -40.28 56.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.995 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 43.4 m -109.57 -32.77 7.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 108.296 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.512 ' O ' ' OG1' ' A' ' 54' ' ' THR . 70.7 m-70 -94.26 13.7 22.62 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.785 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.537 ' C ' ' HB1' ' A' ' 50' ' ' ALA . 47.7 p 50.2 172.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.112 . . . . 0.0 110.388 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.549 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 4.6 p30 -59.25 -18.05 33.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -131.2 126.27 21.38 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.494 ' CG ' ' OE2' ' A' ' 119' ' ' GLU . 73.0 Cg_endo -71.7 -48.21 0.42 Allowed 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.271 3.314 . . . . 0.0 109.652 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.403 ' HA ' ' HB2' ' A' ' 74' ' ' ALA . . . -53.16 -19.72 3.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -84.41 178.28 7.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 38.5 t -79.03 153.35 4.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -127.97 -174.98 13.91 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.486 1.116 . . . . 0.0 110.982 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -176.72 132.53 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 0.765 . . . . 0.0 109.255 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -80.45 136.49 36.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.0 pt -88.69 12.45 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 109.272 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 55.9 t -92.67 -54.78 6.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 72.5 p -102.74 -30.81 10.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.39 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 85.63 43.55 6.44 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.488 1.117 . . . . 0.0 111.028 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.61 -169.17 2.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.55 0.794 . . . . 0.0 109.35 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -121.09 98.83 6.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.276 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.573 HG23 ' HD2' ' A' ' 71' ' ' PRO . 3.8 mm -83.22 135.46 44.42 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.573 ' HD2' HG23 ' A' ' 70' ' ' ILE . 72.9 Cg_endo -76.81 170.13 20.42 Favored 'Trans proline' 0 N--CA 1.448 -1.175 0 C-N-CA 124.271 3.314 . . . . 0.0 109.593 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.471 ' HD2' ' CB ' ' A' ' 71' ' ' PRO . 6.1 Cg_endo -46.07 131.13 13.96 Favored 'Trans proline' 0 N--CA 1.447 -1.26 0 C-N-CA 124.261 3.307 . . . . 0.0 109.64 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.455 ' O ' ' C ' ' A' ' 74' ' ' ALA . 9.1 tp -86.86 -27.89 23.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.341 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.455 ' C ' ' O ' ' A' ' 73' ' ' LEU . . . -36.5 114.58 0.62 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.684 ' HG3' HD23 ' A' ' 116' ' ' LEU . 84.2 Cg_endo -79.48 47.76 2.62 Favored 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.319 3.346 . . . . 0.0 109.626 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.664 ' CZ ' HD22 ' A' ' 117' ' ' LEU . 13.7 ttm180 -159.73 -58.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.256 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 31.4 t -42.58 -42.39 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.269 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.507 ' OD1' ' N ' ' A' ' 78' ' ' ASN . 0.4 OUTLIER -118.92 114.25 22.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 19.4 p -58.25 -16.37 13.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.42 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.5 mmpt? -64.53 -21.62 66.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.443 ' CB ' ' HA ' ' A' ' 75' ' ' PRO . 19.0 mmt-85 -80.1 159.53 26.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.659 ' CD2' ' HB2' ' A' ' 75' ' ' PRO . 5.8 m-30 45.75 57.79 4.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.986 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 44.5 m -79.71 -63.87 1.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.467 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -90.52 102.94 15.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.937 HD12 ' HB3' ' A' ' 4' ' ' ASN . 6.4 tt -71.79 -5.0 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -89.01 -37.49 15.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.137 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 89' ' ' GLU . 13.7 mttt -86.33 -57.19 3.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.447 HG21 ' CD1' ' A' ' 82' ' ' PHE . 0.4 OUTLIER -39.88 -30.01 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 87' ' ' LYS . 30.5 mt-10 -72.06 -54.73 8.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.57 1.168 . . . . 0.0 110.325 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -65.23 -49.87 68.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -48.16 -44.16 32.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.343 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.708 ' CZ ' ' CMA' ' A' ' 125' ' ' HEC . 0.1 OUTLIER -56.86 -27.11 59.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 111.017 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.431 HG23 ' CG ' ' A' ' 103' ' ' ASP . 1.1 m -88.22 -36.9 16.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.44 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.21 -25.58 59.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.464 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.4 t60 -70.25 -59.97 2.56 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.78 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.427 ' C ' ' O ' ' A' ' 102' ' ' ALA . 3.7 m -56.15 -21.62 23.82 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.564 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -84.7 -12.82 53.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.06 6.38 11.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.464 HG13 ' CE1' ' A' ' 95' ' ' HIS . 46.3 mm -122.22 -49.03 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.718 HD12 ' SG ' ' A' ' 104' ' ' CYS . 64.5 mt -99.53 -32.15 11.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.778 ' HA3' ' HG3' ' A' ' 42' ' ' PRO . . . 107.11 14.93 17.45 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.461 1.101 . . . . 0.0 110.956 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.427 ' O ' ' C ' ' A' ' 96' ' ' CYS . . . -167.39 -170.85 1.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 0.78 . . . . 0.0 109.285 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.431 ' CG ' HG23 ' A' ' 93' ' ' THR . 9.1 t0 -95.3 121.09 36.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.718 ' SG ' HD12 ' A' ' 100' ' ' LEU . 64.1 m -60.92 161.74 7.84 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.562 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.476 ' OG ' ' CG ' ' A' ' 108' ' ' GLU . 53.2 p -77.48 143.31 68.13 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.975 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -59.41 -15.23 28.84 Favored 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.323 3.349 . . . . 0.0 109.614 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 79.6 p -85.16 -43.83 13.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.986 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.476 ' CG ' ' OG ' ' A' ' 105' ' ' SER . 2.7 mm-40 -69.04 -8.78 48.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 110.349 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.544 ' HD2' ' CG ' ' A' ' 92' ' ' PHE . 2.5 tppt? -88.16 -65.69 0.99 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.528 ' HB2' ' CB ' ' A' ' 12' ' ' TYR . . . -49.91 -22.04 1.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.413 ' N ' ' C ' ' A' ' 109' ' ' LYS . 0.2 OUTLIER -76.77 -53.91 7.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -56.85 -44.95 82.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 111.025 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.598 HG22 HG22 ' A' ' 9' ' ' VAL . 1.5 mt -56.38 -42.03 73.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.428 ' HB2' ' HG2' ' A' ' 26' ' ' PRO . . . -57.93 -76.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.533 ' CD2' ' HA3' ' A' ' 31' ' ' GLY . 0.2 OUTLIER -36.87 -42.12 0.37 Allowed 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.869 -179.913 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.684 HD23 ' HG3' ' A' ' 75' ' ' PRO . 1.8 mp -61.12 -60.99 2.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.921 HD21 ' HB1' ' A' ' 5' ' ' ALA . 55.5 mt -51.15 -33.77 28.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.478 HG22 ' N ' ' A' ' 119' ' ' GLU . 0.7 OUTLIER -71.8 -59.4 2.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 110.426 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.494 ' OE2' ' CG ' ' A' ' 57' ' ' PRO . 4.1 pt-20 -70.94 124.35 24.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 110.282 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 69.2 p -147.63 49.49 1.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.392 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.01 132.39 0.41 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.251 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -44.87 168.45 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 124.325 3.35 . . . . 0.0 109.583 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 3.8 m -116.91 -63.17 1.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.393 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' HEC . . . . . 0.708 ' CMA' ' CZ ' ' A' ' 92' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.768 ' O ' HG23 ' A' ' 2' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.768 HG23 ' O ' ' A' ' 1' ' ' ASP . 24.2 t -162.06 -66.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.431 1.082 . . . . 0.0 109.356 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.1 m -58.48 -33.11 69.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 110.4 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.584 HD22 ' N ' ' A' ' 4' ' ' ASN . 0.9 OUTLIER -90.8 -56.1 3.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.259 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.517 ' O ' HG23 ' A' ' 9' ' ' VAL . . . -46.27 -39.86 10.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.143 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -65.14 -37.91 88.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.281 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 4' ' ' ASN . 0.0 OUTLIER -60.91 -53.58 55.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.157 . . . . 0.0 109.35 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.534 HD13 ' HE2' ' A' ' 12' ' ' TYR . 5.8 mt -49.29 -51.48 33.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.569 HG21 HD21 ' A' ' 117' ' ' LEU . 87.3 t -54.71 -52.57 40.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 18.5 t80 -72.51 0.65 9.81 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.82 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -105.46 -74.45 0.65 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.82 ' CB ' ' HB2' ' A' ' 110' ' ' ALA . 94.8 m-85 -49.4 -24.64 2.04 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.847 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.459 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 52.3 m -74.66 -47.7 30.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.394 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 53.6 t-20 -58.3 -52.95 63.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.2 mt -52.42 -48.68 45.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.43 -41.5 89.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.487 ' ND1' ' O ' ' A' ' 23' ' ' TYR . 15.9 t60 -67.67 -31.58 71.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.609 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 46.5 t -66.39 -24.43 66.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.99 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.24 -36.27 13.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.288 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.433 ' O ' ' HA ' ' A' ' 17' ' ' HIS . 11.5 t-20 -135.27 118.78 12.98 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.26 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -81.64 40.56 1.0 Allowed 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 124.286 3.324 . . . . 0.0 109.618 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.7 mtt -145.28 37.57 1.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 110.983 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.487 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 55.7 t80 -147.42 120.32 8.73 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.821 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -100.16 -45.86 5.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 110.285 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.681 ' HB1' ' CD ' ' A' ' 26' ' ' PRO . . . -168.36 176.42 1.53 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.085 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.681 ' CD ' ' HB1' ' A' ' 25' ' ' ALA . 17.2 Cg_exo -70.46 179.85 3.76 Favored 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 124.315 3.343 . . . . 0.0 109.606 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -135.49 22.94 3.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.978 -179.881 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.428 ' C ' ' O ' ' A' ' 27' ' ' SER . 16.8 pt 37.43 45.17 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.713 HG22 ' O ' ' A' ' 29' ' ' THR . 3.4 m -162.11 33.52 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.403 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -133.3 -46.75 0.83 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.442 ' O ' ' CB ' ' A' ' 35' ' ' PHE . . . -50.57 -37.6 33.79 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.449 1.093 . . . . 0.0 110.964 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.566 ' HG2' ' CE1' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -51.48 -69.59 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 0.766 . . . . 0.0 109.315 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.409 HG23 ' HD2' ' A' ' 37' ' ' ARG . 29.7 mt -48.55 -57.89 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.558 ' CZ ' ' OE2' ' A' ' 108' ' ' GLU . 20.2 t80 -53.68 -20.57 5.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.96 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.556 ' CE2' ' HD3' ' A' ' 57' ' ' PRO . 85.7 t80 -108.33 5.37 25.46 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 32' ' ' LYS . 3.5 m-80 -142.21 25.59 1.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 39' ' ' PHE . 2.9 tpm_? -107.54 96.7 6.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.334 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.7 ttpt -49.66 94.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.512 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 25.3 p90 -98.91 165.32 11.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.987 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -105.59 143.71 33.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.454 HG23 ' O ' ' A' ' 45' ' ' LYS . 43.3 p -97.88 153.95 38.0 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.359 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.866 ' HG3' ' HA3' ' A' ' 101' ' ' GLY . 72.2 Cg_endo -67.4 -4.54 12.05 Favored 'Trans proline' 0 N--CA 1.448 -1.2 0 C-N-CA 124.275 3.317 . . . . 0.0 109.629 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 p -107.28 31.03 5.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.021 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.403 ' O ' ' CB ' ' A' ' 45' ' ' LYS . . . 46.33 82.81 0.03 OUTLIER Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.5 1.125 . . . . 0.0 110.966 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.454 ' O ' HG23 ' A' ' 41' ' ' THR . 2.6 tttt 170.95 111.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 0.792 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.47 154.2 41.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -163.96 176.98 8.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.512 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -154.68 151.63 28.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.532 ' HB2' ' CD1' ' A' ' 35' ' ' PHE . 56.4 m -64.08 -14.75 56.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 108.328 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.451 ' HA ' ' O ' ' A' ' 54' ' ' THR . . . -100.6 5.2 43.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.443 ' OG ' ' CMC' ' A' ' 125' ' ' HEC . 84.3 p -74.08 -30.67 62.47 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.431 1.082 . . . . 0.0 110.026 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 57.7 m -116.99 -43.91 2.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 108.284 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.508 ' O ' ' OG1' ' A' ' 54' ' ' THR . 65.8 m-70 -85.7 15.03 5.03 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.754 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.508 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 39.4 p 49.98 174.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 110.353 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.435 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 5.1 p30 -56.16 -25.3 46.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -128.53 122.64 21.86 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.145 . . . . 0.0 109.345 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.888 ' HB3' HD23 ' A' ' 73' ' ' LEU . 55.4 Cg_endo -68.84 -43.78 3.31 Favored 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.322 3.348 . . . . 0.0 109.557 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.44 -18.37 2.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.404 ' N ' ' C ' ' A' ' 57' ' ' PRO . 9.6 t-20 -85.49 -178.83 6.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 25.5 t -85.32 115.76 27.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 70' ' ' ILE . . . -76.91 -164.39 20.27 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.449 1.093 . . . . 0.0 111.007 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.481 ' CG ' ' O ' ' A' ' 68' ' ' LYS . 0.1 OUTLIER -175.54 118.79 0.17 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 0.754 . . . . 0.0 109.331 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.557 ' ND2' HD11 ' A' ' 70' ' ' ILE . 90.3 m-20 -71.02 126.69 30.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 10.8 pt -79.13 1.77 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 94.6 t -79.64 -51.3 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.337 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 70.1 p -108.96 -29.55 8.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.379 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 87.04 44.02 5.8 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.479 1.112 . . . . 0.0 111.012 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.481 ' O ' ' CG ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -98.28 -159.95 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.765 . . . . 0.0 109.307 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.445 ' N ' ' CD ' ' A' ' 69' ' ' GLU . 1.3 pm0 -125.69 105.28 8.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.282 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.613 HD12 ' O1D' ' A' ' 125' ' ' HEC . 2.1 mm -86.72 115.48 62.52 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -47.63 166.08 0.11 Allowed 'Trans proline' 0 N--CA 1.446 -1.27 0 C-N-CA 124.314 3.343 . . . . 0.0 109.589 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_exo -38.86 131.7 1.2 Allowed 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.292 3.328 . . . . 0.0 109.589 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.888 HD23 ' HB3' ' A' ' 57' ' ' PRO . 3.0 tp -83.62 -33.12 25.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.344 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.471 ' HB3' ' HB ' ' A' ' 77' ' ' VAL . . . -39.52 99.81 0.2 Allowed Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.119 . . . . 0.0 109.346 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.626 ' HB3' ' CD1' ' A' ' 82' ' ' PHE . 26.6 Cg_exo -62.14 -11.28 21.24 Favored 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 124.343 3.362 . . . . 0.0 109.59 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.0 ttt180 -96.51 -47.76 5.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.584 HG23 ' HB ' ' A' ' 120' ' ' THR . 9.2 t -48.19 -43.78 12.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.447 ' OD1' HG12 ' A' ' 77' ' ' VAL . 0.3 OUTLIER -97.45 138.47 34.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.148 . . . . 0.0 109.325 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 21.2 p -86.06 -0.15 54.87 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.12 . . . . 0.0 110.434 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.19 47.45 1.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.514 ' CB ' ' HA ' ' A' ' 75' ' ' PRO . 54.4 mmt-85 -136.69 -94.24 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.626 ' CD1' ' HB3' ' A' ' 75' ' ' PRO . 2.0 m-30 -67.3 67.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.429 ' N ' ' O ' ' A' ' 81' ' ' ARG . 90.0 m -98.15 -60.0 1.64 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.098 . . . . 0.0 110.404 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -87.5 122.96 31.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.261 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.741 ' O ' HG23 ' A' ' 85' ' ' ILE . 8.9 tt -102.34 58.13 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.093 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -150.18 -50.96 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -88.44 -1.89 58.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -83.76 -26.82 7.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -72.74 -50.25 25.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.291 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -64.26 -47.88 77.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.43 ' O ' ' HB2' ' A' ' 95' ' ' HIS . 4.5 mm-40 -55.3 -20.36 11.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.285 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.515 ' CZ ' ' CMA' ' A' ' 125' ' ' HEC . 0.1 OUTLIER -85.95 -29.89 23.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 110.994 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.513 HG23 ' CG ' ' A' ' 103' ' ' ASP . 0.9 OUTLIER -86.01 -40.16 16.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.378 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.2 mmtp -64.77 -32.06 73.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.493 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.4 t60 -65.62 -59.73 3.65 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.749 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.434 ' C ' ' O ' ' A' ' 102' ' ' ALA . 2.6 m -54.52 -25.04 23.24 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.543 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.469 ' HA ' ' N ' ' A' ' 102' ' ' ALA . 1.7 m-80 -78.18 -15.65 58.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.3 -1.21 15.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.493 HG13 ' CE1' ' A' ' 95' ' ' HIS . 26.7 mm -113.77 -57.03 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.261 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.602 HD12 ' SG ' ' A' ' 104' ' ' CYS . 43.3 mt -91.85 -21.27 20.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.0 109.261 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.866 ' HA3' ' HG3' ' A' ' 42' ' ' PRO . . . 95.87 11.65 54.51 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.53 1.144 . . . . 0.0 111.026 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.469 ' N ' ' HA ' ' A' ' 97' ' ' ASN . . . -162.38 -168.5 1.87 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.513 ' CG ' HG23 ' A' ' 93' ' ' THR . 14.1 t0 -94.87 125.54 39.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.602 ' SG ' HD12 ' A' ' 100' ' ' LEU . 45.7 m -65.02 163.13 15.32 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.613 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.423 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 16.1 t -77.93 150.05 77.72 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 109.981 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 105' ' ' SER . 16.1 Cg_exo -66.75 -12.83 37.51 Favored 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.358 3.372 . . . . 0.0 109.599 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 76.7 p -89.63 -43.14 10.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.979 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.558 ' OE2' ' CZ ' ' A' ' 34' ' ' PHE . 10.2 pt-20 -69.83 -5.68 27.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.589 1.181 . . . . 0.0 110.285 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.429 ' C ' ' N ' ' A' ' 111' ' ' ASN . 8.4 mmtp -96.5 -66.81 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.82 ' HB2' ' CB ' ' A' ' 12' ' ' TYR . . . -43.97 -27.19 0.34 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 0.0 109.328 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.429 ' N ' ' C ' ' A' ' 109' ' ' LYS . 0.3 OUTLIER -73.77 -54.8 7.23 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.444 ' CE2' HD22 ' A' ' 116' ' ' LEU . 39.3 t80 -54.51 -45.85 73.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.105 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.434 ' O ' HD23 ' A' ' 117' ' ' LEU . 1.6 mt -53.58 -39.88 39.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 117' ' ' LEU . . . -64.14 -64.99 0.74 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.566 ' CE1' ' HG2' ' A' ' 32' ' ' LYS . 1.3 t80 -45.81 -37.41 6.07 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.975 -1.011 . . . . 0.0 109.822 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.688 ' O ' HG22 ' A' ' 120' ' ' THR . 0.9 OUTLIER -68.98 -37.05 78.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.897 ' O ' HD12 ' A' ' 117' ' ' LEU . 1.1 pp -93.12 24.14 3.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.504 HG22 ' HG2' ' A' ' 119' ' ' GLU . 3.3 m -123.22 -80.09 0.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.392 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.504 ' HG2' HG22 ' A' ' 118' ' ' THR . 2.3 mt-10 -86.59 75.72 9.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 110.24 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.688 HG22 ' O ' ' A' ' 116' ' ' LEU . 7.6 p -98.13 58.68 1.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.389 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 11.0 mtpt -134.84 147.7 64.02 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.257 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -78.23 167.58 22.99 Favored 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.278 3.319 . . . . 0.0 109.593 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . 0.597 ' O ' HG22 ' A' ' 123' ' ' THR . 9.2 m -155.38 56.14 0.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.379 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' HEC . . . . . 0.706 HMB1 HBB3 ' A' ' 125' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.477 ' H3 ' ' HB2' ' A' ' 4' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.507 HG13 ' NH2' ' A' ' 76' ' ' ARG . 97.5 t -59.39 -34.58 54.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.254 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.454 HG22 ' O ' ' A' ' 3' ' ' THR . 53.6 m -82.13 9.2 9.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 110.416 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.814 ' HB3' HD12 ' A' ' 85' ' ' ILE . 1.5 m-80 -118.72 -65.83 1.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.25 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.787 ' O ' HG23 ' A' ' 9' ' ' VAL . . . -39.33 -43.47 1.17 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.573 1.171 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -53.81 -48.67 69.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 4' ' ' ASN . 0.0 OUTLIER -59.12 -52.57 65.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.693 ' HG ' HD11 ' A' ' 85' ' ' ILE . 12.5 mt -49.5 -45.16 46.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.865 HG21 HD21 ' A' ' 117' ' ' LEU . 49.0 t -62.93 -53.01 52.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.34 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -66.17 -10.34 40.37 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.833 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 7' ' ' LYS . 0.5 OUTLIER -94.61 -73.71 0.57 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.812 ' CB ' ' HB2' ' A' ' 110' ' ' ALA . 55.8 m-85 -48.02 -24.61 1.12 Allowed 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.831 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.442 ' CB ' ' O ' ' A' ' 9' ' ' VAL . 40.8 m -76.08 -49.36 17.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 110.435 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -61.16 -54.46 44.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.6 mt -46.75 -48.19 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.05 -54.6 44.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.418 ' HA ' ' O ' ' A' ' 20' ' ' ASN . 78.2 t60 -57.54 -30.43 65.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.586 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.2 t -70.94 -18.98 62.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.948 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -96.54 -39.95 9.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.357 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.418 ' O ' ' HA ' ' A' ' 17' ' ' HIS . 0.4 OUTLIER -140.95 125.19 10.47 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.27 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -68.89 -4.06 12.66 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.284 3.323 . . . . 0.0 109.569 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 3.5 mmt -79.21 -43.79 23.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.469 ' CE1' ' HB2' ' A' ' 107' ' ' SER . 23.4 t80 -79.2 126.55 30.9 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.85 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -123.5 -44.58 2.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.489 ' HB1' ' HD2' ' A' ' 26' ' ' PRO . . . -161.84 156.54 19.53 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.489 ' HD2' ' HB1' ' A' ' 25' ' ' ALA . 31.0 Cg_endo -64.55 178.03 1.9 Allowed 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.284 3.322 . . . . 0.0 109.592 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.5 16.82 1.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.044 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.402 ' O ' ' OG1' ' A' ' 29' ' ' THR . 36.1 pt 42.52 54.1 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.733 HG22 ' O ' ' A' ' 29' ' ' THR . 3.2 m -163.08 38.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 110.389 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -144.61 -47.22 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' A' ' 35' ' ' PHE . . . -48.96 -54.68 13.52 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.45 1.094 . . . . 0.0 111.03 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.564 ' HB3' ' CE2' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -45.04 -73.1 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 0.76 . . . . 0.0 109.304 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.3 mt -46.99 -53.13 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -57.0 -17.67 10.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.99 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.472 ' N ' ' O ' ' A' ' 31' ' ' GLY . 81.3 t80 -106.93 11.12 30.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 0.0 110.984 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -143.0 23.42 1.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -104.2 108.94 20.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.331 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.1 ttmm -63.83 96.7 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.486 ' CE2' ' HA ' ' A' ' 48' ' ' ALA . 25.2 p90 -100.01 163.69 12.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.1 tttp -105.41 140.62 38.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.459 HG23 ' O ' ' A' ' 45' ' ' LYS . 39.0 p -93.87 153.13 41.01 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.132 . . . . 0.0 110.384 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.751 ' HG3' ' HA3' ' A' ' 101' ' ' GLY . 88.1 Cg_endo -68.39 -2.78 9.71 Favored 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.377 3.385 . . . . 0.0 109.609 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 p -106.59 22.41 15.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.985 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 54.63 81.68 0.06 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.512 1.133 . . . . 0.0 111.006 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.459 ' O ' HG23 ' A' ' 41' ' ' THR . 3.7 tttt 171.43 108.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 0.782 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.56 153.32 39.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -163.98 177.47 8.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.486 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . . . -155.53 152.79 29.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.442 ' CB ' ' CD1' ' A' ' 35' ' ' PHE . 62.3 m -65.18 -13.15 57.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 108.295 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.436 ' O ' ' HA ' ' A' ' 54' ' ' THR . . . -102.19 6.11 40.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.501 ' OG ' ' CMC' ' A' ' 125' ' ' HEC . 88.2 p -77.2 -28.8 54.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 110.019 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 86.1 m -117.71 -44.8 2.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 108.284 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.516 ' O ' ' OG1' ' A' ' 54' ' ' THR . 86.6 m-70 -86.69 14.59 6.78 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.785 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.516 ' OG1' ' O ' ' A' ' 53' ' ' HIS . 40.6 p 50.18 172.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.369 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.431 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 11.2 p30 -53.67 -24.37 14.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -132.49 129.38 21.43 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.433 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 86.0 Cg_endo -73.42 -43.09 0.73 Allowed 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.295 3.33 . . . . 0.0 109.591 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.616 ' HA ' ' HB2' ' A' ' 74' ' ' ALA . . . -54.85 -18.14 4.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 109.351 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -89.85 172.83 8.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 40.8 t -70.49 135.74 27.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.132 . . . . 0.0 109.246 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -110.4 -174.8 20.56 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.46 1.1 . . . . 0.0 110.999 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.5 tttt -166.31 135.0 2.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.769 . . . . 0.0 109.292 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.637 ' ND2' HD11 ' A' ' 70' ' ' ILE . 76.4 m-20 -94.12 134.44 36.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.5 pt -84.75 13.1 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.328 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 78.5 t -88.85 -60.03 2.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.2 p -113.43 -28.03 7.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 110.391 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 83.51 53.03 3.53 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.501 1.125 . . . . 0.0 110.999 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.516 ' O ' ' C ' ' A' ' 69' ' ' GLU . 7.6 ttmt -111.28 98.77 7.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.516 ' C ' ' O ' ' A' ' 68' ' ' LYS . 1.2 pm0 -28.87 100.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.431 1.082 . . . . 0.0 110.356 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.637 HD11 ' ND2' ' A' ' 63' ' ' ASN . 3.7 mm -77.54 134.13 66.32 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.271 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.517 ' HD2' HG23 ' A' ' 70' ' ' ILE . 60.0 Cg_endo -71.61 150.75 57.52 Favored 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.332 3.354 . . . . 0.0 109.553 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.41 ' C ' ' O ' ' A' ' 71' ' ' PRO . 72.4 Cg_exo -32.75 137.75 0.06 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.339 3.359 . . . . 0.0 109.565 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 1.026 HD12 ' O ' ' A' ' 73' ' ' LEU . 0.2 OUTLIER -93.22 -28.27 16.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.616 ' HB2' ' HA ' ' A' ' 58' ' ' ALA . . . -34.66 96.9 0.11 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.62 ' CG ' HD13 ' A' ' 116' ' ' LEU . 16.6 Cg_exo -67.22 53.4 0.46 Allowed 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.342 3.361 . . . . 0.0 109.607 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.507 ' NH2' HG13 ' A' ' 2' ' ' VAL . 9.7 ttm180 -168.7 -51.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 110.29 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.596 HG12 ' OD1' ' A' ' 78' ' ' ASN . 38.4 t -46.32 -41.02 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.596 ' OD1' HG12 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -111.39 142.07 44.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -78.97 -6.5 56.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 110.367 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.44 ' O ' ' NH1' ' A' ' 81' ' ' ARG . 0.4 OUTLIER -97.72 45.5 1.03 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.452 ' NH2' ' HG2' ' A' ' 71' ' ' PRO . 17.9 mmt-85 -141.89 162.6 35.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 110.309 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.586 ' CG ' ' HB3' ' A' ' 75' ' ' PRO . 3.1 m-30 39.62 67.84 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.95 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 10.7 m -89.8 -67.52 0.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.361 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -81.75 92.39 6.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.252 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.814 HD12 ' HB3' ' A' ' 4' ' ' ASN . 8.8 tt -72.14 -4.71 5.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.348 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -97.55 -21.03 17.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 90' ' ' ASP . 5.2 ttmt -102.05 -50.57 3.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.362 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -43.92 -26.91 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.421 ' N ' ' C ' ' A' ' 87' ' ' LYS . 2.2 tm-20 -70.46 -46.73 63.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 0.0 110.311 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 87' ' ' LYS . 23.0 m-20 -70.88 -46.44 62.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -54.79 -18.72 5.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.115 . . . . 0.0 110.291 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.695 ' CZ ' ' CMA' ' A' ' 125' ' ' HEC . 0.2 OUTLIER -81.15 -24.52 37.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.998 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -89.35 -29.95 18.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.4 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.6 -33.78 53.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.342 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.586 ' CE1' HG13 ' A' ' 99' ' ' ILE . 1.4 t60 -66.0 -59.25 4.0 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 114.99 -1.004 . . . . 0.0 109.759 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.419 ' C ' ' O ' ' A' ' 102' ' ' ALA . 11.9 m -56.35 -23.66 38.93 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.568 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.45 ' HA ' ' N ' ' A' ' 102' ' ' ALA . 1.7 m-80 -82.24 -12.29 58.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -117.9 5.92 12.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.586 HG13 ' CE1' ' A' ' 95' ' ' HIS . 25.0 mm -122.57 -51.42 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.761 HD12 ' SG ' ' A' ' 104' ' ' CYS . 74.6 mt -97.19 -29.21 13.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.751 ' HA3' ' HG3' ' A' ' 42' ' ' PRO . . . 106.86 9.79 29.66 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.483 1.115 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.45 ' N ' ' HA ' ' A' ' 97' ' ' ASN . . . -168.21 -173.89 2.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 0.778 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -85.46 125.34 32.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.761 ' SG ' HD12 ' A' ' 100' ' ' LEU . 57.3 m -61.04 161.31 8.62 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.599 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.472 ' HB2' ' CG ' ' A' ' 108' ' ' GLU . 4.5 m -68.79 144.5 96.02 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.035 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -63.61 -21.46 70.32 Favored 'Trans proline' 0 N--CA 1.446 -1.283 0 C-N-CA 124.334 3.356 . . . . 0.0 109.599 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.469 ' HB2' ' CE1' ' A' ' 23' ' ' TYR . 72.0 p -85.79 -36.74 19.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.986 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.472 ' CG ' ' HB2' ' A' ' 105' ' ' SER . 4.5 mm-40 -70.5 -9.95 57.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.312 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.608 ' HD2' ' CD1' ' A' ' 92' ' ' PHE . 2.4 tppt? -90.66 -65.38 1.02 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.261 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.812 ' HB2' ' CB ' ' A' ' 12' ' ' TYR . . . -49.55 -22.05 1.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.269 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.415 ' N ' ' C ' ' A' ' 109' ' ' LYS . 0.2 OUTLIER -80.0 -51.3 9.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.419 ' CZ ' HD11 ' A' ' 116' ' ' LEU . 40.7 t80 -58.07 -46.12 85.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 110.972 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.687 HG22 HG22 ' A' ' 9' ' ' VAL . 1.4 mt -57.52 -38.22 62.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.82 -62.79 1.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.564 ' CE2' ' HB3' ' A' ' 32' ' ' LYS . 1.1 t80 -50.37 -31.59 15.15 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.852 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.62 HD13 ' CG ' ' A' ' 75' ' ' PRO . 10.5 mt -71.8 -40.02 69.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.865 HD21 HG21 ' A' ' 9' ' ' VAL . 1.7 pp -91.17 20.75 4.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 27.4 m -118.3 -65.73 1.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.396 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -95.31 107.49 19.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 110.292 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 3.1 p -131.79 54.67 1.91 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.396 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 22.0 mttp -131.17 99.75 17.51 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.262 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.91 153.38 25.43 Favored 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.355 3.37 . . . . 0.0 109.615 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . 0.528 ' O ' HG23 ' A' ' 123' ' ' THR . 9.8 t -155.09 56.5 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.09 . . . . 0.0 110.412 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 1.008 ' HE3' ' OXT' ' A' ' 124' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' HEC . . . . . 0.695 ' CMA' ' CZ ' ' A' ' 92' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_