data_1wf7_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 1wf7 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 43.8 t -93.57 162.92 13.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 0.742 . . . . 0.0 110.017 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.455 ' CG2' ' N ' ' A' ' 10' ' ' SER . 0.8 OUTLIER -138.5 162.66 29.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.455 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 39.4 t -131.94 136.42 47.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.017 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.482 ' HB2' ' CE3' ' A' ' 17' ' ' TRP . 7.0 mt -120.3 153.38 36.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.4 p -117.56 106.61 20.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -178.05 153.56 13.31 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.462 1.101 . . . . 0.0 110.981 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.523 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.1 Cg_endo -75.01 -6.19 17.73 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.491 1.785 . . . . 0.0 110.997 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.619 ' O ' ' CD1' ' A' ' 17' ' ' TRP . . . 161.94 -50.36 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.525 ' CD ' ' N ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.01 77.41 3.14 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.538 1.81 . . . . 0.0 110.975 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.619 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 1.8 m95 -71.02 -24.04 62.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 108.021 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.58 -16.07 24.16 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.522 1.138 . . . . 0.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.521 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 1.2 p90 -105.28 156.81 17.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 0.779 . . . . 0.0 111.01 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.8 mmt180 -122.29 174.09 7.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.293 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.2 mt -122.64 145.92 47.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -146.1 136.88 24.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.486 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 106.61 -158.32 15.37 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.526 1.141 . . . . 0.0 110.999 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 124.99 174.81 14.06 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.1 -44.43 96.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 0.742 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -63.75 -22.96 67.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.464 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 11.2 m-85 -92.73 -20.29 20.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.998 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.464 ' CB ' ' O ' ' A' ' 27' ' ' PHE . 9.6 t-20 80.46 33.12 0.16 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.486 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 4.1 ptm -156.4 164.76 20.39 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 111.004 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 156.78 42.9 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.499 1.789 . . . . 0.0 110.983 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.4 mt -75.25 115.75 15.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -123.88 170.44 10.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 110.399 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 21.2 mm -78.58 100.92 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.5 t -53.16 -67.15 0.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.015 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -145.09 177.59 8.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.992 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.467 ' CD1' ' HB2' ' A' ' 42' ' ' ALA . 0.3 OUTLIER -148.28 161.17 42.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.2 tttp -95.71 159.51 14.95 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -55.01 119.67 5.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 40.47 53.59 3.49 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.501 1.126 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -89.25 175.2 42.65 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.9 -64.03 0.79 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 0.752 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.467 ' HB2' ' CD1' ' A' ' 36' ' ' LEU . . . -45.29 -46.38 12.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 18.3 t -62.85 -41.04 99.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.975 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -64.06 -22.27 66.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 110.293 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -93.77 10.78 31.63 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 9.8 m170 62.01 51.44 3.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.436 1.085 . . . . 0.0 109.589 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 76.7 t -105.77 117.95 52.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 -102.43 157.86 16.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.305 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 2.2 mt -65.21 130.21 30.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 116.41 -15.85 14.92 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.543 1.152 . . . . 0.0 110.953 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -57.99 129.13 40.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 0.773 . . . . 0.0 109.271 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 71.1 t -95.62 131.54 42.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.447 ' CG1' HG13 ' A' ' 56' ' ' ILE . 37.1 t -85.62 107.71 16.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 52.8 mt -74.17 -31.77 62.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.437 ' O ' ' CG1' ' A' ' 53' ' ' VAL . 1.8 p -146.03 158.6 43.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.039 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.447 HG13 ' CG1' ' A' ' 53' ' ' VAL . 11.5 mt -133.91 106.15 8.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.165 . . . . 0.0 109.297 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 81' ' ' ASN . 24.4 t0 68.04 37.01 3.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.122 . . . . 0.0 109.344 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 80.61 -2.12 79.91 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.545 1.153 . . . . 0.0 111.058 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.5 mm -94.72 152.43 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.518 0.775 . . . . 0.0 109.346 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.36 121.64 25.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.999 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -98.81 36.52 1.66 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -87.68 -51.49 5.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.335 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -109.03 47.84 1.0 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.552 1.157 . . . . 0.0 110.978 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 14.0 mtm -128.46 130.94 48.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 0.766 . . . . 0.0 111.001 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.3 p -73.63 171.38 13.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 110.409 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -53.69 -53.38 52.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.647 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.549 ' CD1' ' N ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -53.08 -48.02 68.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.549 ' N ' ' CD1' ' A' ' 67' ' ' LEU . 0.9 OUTLIER -49.81 -68.37 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 110.291 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.417 ' CB ' ' CD1' ' A' ' 56' ' ' ILE . . . -45.33 -38.36 5.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -68.15 -37.79 81.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 110.322 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 68' ' ' GLU . 1.7 m-20 -59.9 -48.26 82.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 35.3 mmtt -58.96 -53.57 56.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.239 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 17.1 mt -48.86 -44.01 14.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.118 . . . . 0.0 109.286 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -63.22 -33.99 76.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 179.994 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.6 p . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.583 ' HB2' ' CH2' ' A' ' 17' ' ' TRP . 8.9 tp -113.41 118.94 35.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 57' ' ' ASP . 1.3 m-80 -110.04 104.89 13.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 33.7 mtm -134.73 159.6 40.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 111.017 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.405 ' OG1' ' OG ' ' A' ' 55' ' ' SER . 4.8 m -109.9 147.48 33.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 110.428 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 40.0 mt -113.43 166.17 11.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.086 . . . . 0.0 109.362 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -114.2 131.45 56.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.295 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.345 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 82.9 p -93.76 166.74 12.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 0.774 . . . . 0.0 109.993 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.411 ' CG2' ' N ' ' A' ' 10' ' ' SER . 0.5 OUTLIER -143.67 159.31 16.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.411 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 48.2 t -134.26 124.03 25.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 110.001 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 52.5 mt -110.52 148.96 31.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.9 p -115.75 106.57 20.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -174.99 156.59 22.88 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.529 1.143 . . . . 0.0 110.981 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.507 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -75.0 -6.03 17.55 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.463 1.77 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.624 ' O ' ' CD1' ' A' ' 17' ' ' TRP . . . 162.14 -50.38 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.545 ' CD ' ' N ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.99 78.35 2.91 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.519 1.8 . . . . 0.0 111.035 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.624 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 1.8 m95 -72.38 -25.05 61.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 107.989 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.47 ' CA ' ' HB3' ' A' ' 37' ' ' LYS . . . 106.85 27.28 5.48 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.596 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 0.9 OUTLIER -147.67 150.48 34.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 110.959 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.402 ' CB ' ' OG ' ' A' ' 34' ' ' SER . 5.2 mtt180 -116.91 171.72 7.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.309 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.461 ' CD1' HD12 ' A' ' 73' ' ' ILE . 80.8 mt -130.19 153.75 48.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.553 1.158 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -154.56 144.05 21.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.28 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.473 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 107.2 -160.27 14.22 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.52 1.138 . . . . 0.0 110.951 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 127.49 -179.37 16.47 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.9 ttpp -70.77 -27.57 64.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 0.768 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -76.0 -24.33 55.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.437 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 9.8 m-85 -97.43 -17.61 19.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.972 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.437 ' CB ' ' O ' ' A' ' 27' ' ' PHE . 2.4 t-20 77.12 44.57 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.473 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 4.1 ptm -162.9 164.48 16.22 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 111.043 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 156.64 43.03 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.45 1.763 . . . . 0.0 111.035 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 mt -75.5 110.25 9.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -116.23 168.01 10.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.393 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 24.8 mm -78.56 99.25 2.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.417 ' HB3' ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -43.95 -56.51 3.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 109.99 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.08 177.12 11.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 110.069 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.501 HD13 ' CA ' ' A' ' 43' ' ' SER . 0.2 OUTLIER -121.67 167.72 12.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.25 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.47 ' HB3' ' CA ' ' A' ' 18' ' ' GLY . 8.7 tttp -116.01 137.76 51.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.13 126.13 13.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 42.0 56.64 3.78 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.536 1.147 . . . . 0.0 111.009 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -105.95 161.61 14.32 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.52 -48.8 56.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 0.785 . . . . 0.0 109.35 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.466 ' CB ' ' HB3' ' A' ' 19' ' ' PHE . . . -48.99 -65.46 0.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.501 ' CA ' HD13 ' A' ' 36' ' ' LEU . 14.2 p -47.04 -47.21 22.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.008 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -55.45 -27.28 47.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 110.299 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 42' ' ' ALA . . . -87.48 11.05 15.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 63.78 43.18 5.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.571 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 61.1 t -96.57 113.93 32.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.3 mtm180 -102.59 164.42 11.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.2 mt -70.69 134.56 29.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.333 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 108.15 -17.09 35.11 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -54.43 127.72 28.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 0.768 . . . . 0.0 109.335 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 73.3 t -94.7 132.97 37.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.573 1.171 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.47 HG11 ' CG1' ' A' ' 56' ' ' ILE . 47.1 t -87.82 108.16 18.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.253 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 20.4 mt -73.79 -36.44 65.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.449 ' O ' ' CG1' ' A' ' 53' ' ' VAL . 4.8 p -143.85 167.89 21.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.025 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.477 HG23 ' CB ' ' A' ' 72' ' ' LYS . 54.4 mt -143.06 96.27 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 81' ' ' ASN . 11.1 t0 71.31 44.51 0.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 73.75 1.93 59.77 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.451 1.094 . . . . 0.0 111.002 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.464 HG13 ' CE ' ' A' ' 72' ' ' LYS . 16.8 mm -92.87 140.44 16.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 0.756 . . . . 0.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.27 117.34 14.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.992 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -92.67 31.13 1.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -93.5 92.11 7.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 110.278 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 92.54 39.09 5.4 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -110.06 136.04 49.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 0.764 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.1 p -75.65 156.65 34.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.413 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.449 ' CE1' ' O ' ' A' ' 21' ' ' LEU . 2.0 t-160 -50.13 -51.66 41.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.619 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.4 tp -50.97 -53.14 35.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -49.22 -70.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 110.315 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -43.32 -49.71 6.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.274 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -54.44 -44.97 72.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 110.293 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -53.58 -47.0 70.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.097 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.477 ' CB ' HG23 ' A' ' 56' ' ' ILE . 40.0 mmtm -56.55 -44.95 81.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.461 HD12 ' CD1' ' A' ' 21' ' ' LEU . 4.8 mt -59.56 -29.21 41.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.1 mttp -79.23 -15.38 58.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.325 -179.984 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.0 p . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.586 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 11.0 tp -116.03 116.37 27.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.098 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.406 ' O ' ' N ' ' A' ' 57' ' ' ASP . 1.2 m-80 -109.9 104.71 13.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 41.2 mtm -133.32 162.18 32.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.8 m -112.57 146.22 38.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.43 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 28.7 mt -113.37 166.91 11.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.427 ' HG2' ' N ' ' A' ' 86' ' ' ARG . 0.3 OUTLIER -116.22 139.64 50.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 110.266 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.427 ' N ' ' HG2' ' A' ' 85' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 110.276 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.0 m -90.29 156.35 18.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 0.765 . . . . 0.0 109.977 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.479 ' CG2' ' N ' ' A' ' 10' ' ' SER . 1.7 p -130.85 165.63 30.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.479 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 46.5 t -138.03 122.41 18.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.997 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 32.1 mt -111.27 150.29 29.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 76.7 t -117.31 106.86 20.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -175.3 154.83 18.94 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.507 1.13 . . . . 0.0 110.996 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.528 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.0 Cg_endo -75.08 -5.27 16.55 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.464 1.771 . . . . 0.0 110.974 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.606 ' O ' ' CD1' ' A' ' 17' ' ' TRP . . . 161.52 -50.19 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.537 ' CD ' ' N ' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -74.99 76.88 3.27 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.52 1.8 . . . . 0.0 110.961 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.606 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 2.7 m95 -70.59 -24.83 62.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 108.018 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.446 ' CA ' ' HB3' ' A' ' 37' ' ' LYS . . . 103.93 30.15 5.25 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.512 1.132 . . . . 0.0 111.002 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.58 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 1.2 p90 -151.69 149.76 29.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 0.756 . . . . 0.0 111.048 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.4 mmt85 -112.09 175.37 5.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.516 ' O ' ' CE1' ' A' ' 66' ' ' HIS . 64.3 mt -137.38 145.25 43.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.0 pt20 -146.01 150.91 36.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.331 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.473 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 101.61 -159.86 18.29 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 122.34 -175.97 16.44 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.69 -44.68 89.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 0.782 . . . . 0.0 109.351 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -63.82 -24.31 67.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -96.33 -3.58 43.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.4 m120 61.81 36.08 16.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.324 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.473 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 3.6 ptm -157.0 164.17 22.6 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 156.53 43.28 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.454 1.765 . . . . 0.0 111.038 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 mt -75.32 114.99 14.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -123.24 168.4 12.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 110.439 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.482 HD12 ' CD2' ' A' ' 21' ' ' LEU . 50.1 mm -78.16 98.49 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.7 t -48.49 -62.37 1.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.994 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -145.59 173.66 11.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.997 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.5 HD12 ' CA ' ' A' ' 43' ' ' SER . 0.4 OUTLIER -121.28 168.35 11.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 109.263 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.446 ' HB3' ' CA ' ' A' ' 18' ' ' GLY . 13.9 tttp -116.65 137.66 52.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.36 125.13 13.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 43.88 53.69 6.25 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.565 1.165 . . . . 0.0 110.993 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -104.89 153.7 17.36 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -42.92 -57.27 2.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 0.78 . . . . 0.0 109.258 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.48 ' CB ' ' HB3' ' A' ' 19' ' ' PHE . . . -42.42 -68.01 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.346 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.5 ' CA ' HD12 ' A' ' 36' ' ' LEU . 1.9 t -47.94 -48.65 31.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.0 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -61.48 -20.86 63.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.323 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 42' ' ' ALA . . . -94.2 20.76 7.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.418 ' HA ' ' NH2' ' A' ' 48' ' ' ARG . 21.7 m-70 58.35 50.66 9.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.102 . . . . 0.0 109.556 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 36.3 t -108.41 99.18 8.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.457 ' NH2' ' O ' ' A' ' 43' ' ' SER . 8.9 mmp_? -89.73 166.85 13.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.305 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.2 mt -75.23 134.85 28.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 106.1 -14.47 44.33 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.458 1.099 . . . . 0.0 110.99 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -56.21 123.99 16.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 0.771 . . . . 0.0 109.274 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 79.7 t -90.29 135.17 27.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.276 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.471 HG11 ' CG1' ' A' ' 56' ' ' ILE . 67.6 t -89.22 99.81 9.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 23.4 mt -62.82 -47.09 84.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.8 p -137.31 173.79 11.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.019 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.471 ' CG1' HG11 ' A' ' 53' ' ' VAL . 91.8 mt -144.76 85.93 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 81' ' ' ASN . 11.8 t0 74.06 56.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.336 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 63.86 11.41 43.66 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.477 1.111 . . . . 0.0 111.026 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.404 HG21 ' CE ' ' A' ' 64' ' ' MET . 3.4 mm -107.7 136.68 42.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 0.761 . . . . 0.0 109.26 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.39 127.48 32.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.019 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -103.24 25.91 8.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.345 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -83.06 -48.48 10.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.324 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -109.67 48.57 0.92 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.526 1.141 . . . . 0.0 111.016 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.404 ' CE ' HG21 ' A' ' 59' ' ' ILE . 10.9 mtm -130.97 134.99 47.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 0.749 . . . . 0.0 111.0 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 74.5 p -84.23 164.98 18.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.394 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.516 ' CE1' ' O ' ' A' ' 21' ' ' LEU . 2.0 t-160 -45.75 -52.05 11.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.638 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 21.3 tp -56.15 -52.98 62.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.137 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -50.59 -56.72 10.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.01 -49.11 76.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -56.11 -43.86 78.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 110.264 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -51.2 -52.86 40.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.432 ' CB ' HG22 ' A' ' 56' ' ' ILE . 0.8 OUTLIER -50.21 -62.1 1.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.467 HD13 ' CD1' ' A' ' 21' ' ' LEU . 4.2 mt -46.12 -52.61 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt -50.44 -37.57 38.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 109.327 -179.999 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.582 ' HB2' ' CH2' ' A' ' 17' ' ' TRP . 23.3 tp -116.16 142.54 46.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 57' ' ' ASP . 0.6 OUTLIER -135.62 107.31 6.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.41 ' HE1' ' CD2' ' A' ' 80' ' ' LEU . 46.5 mtm -146.08 148.28 32.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.42 1.075 . . . . 0.0 111.039 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.1 m -95.67 147.18 23.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.447 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 53.3 mt -115.89 165.68 12.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 109.35 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -115.28 125.84 53.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.271 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 110.329 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.3 p -96.09 154.56 17.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 0.792 . . . . 0.0 109.981 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.47 ' CG2' ' N ' ' A' ' 10' ' ' SER . 0.7 OUTLIER -122.47 162.78 21.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.47 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 47.6 t -132.94 116.03 15.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.014 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.407 ' HB2' ' CE3' ' A' ' 17' ' ' TRP . 12.1 mt -104.34 149.59 25.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.142 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.5 p -117.17 107.13 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -175.35 155.85 21.02 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.539 1.149 . . . . 0.0 110.984 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.521 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.01 -6.28 17.86 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.512 1.796 . . . . 0.0 110.986 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.618 ' O ' ' CD1' ' A' ' 17' ' ' TRP . . . 162.07 -50.29 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.534 ' CD ' ' N ' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.99 76.22 3.46 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.566 1.824 . . . . 0.0 111.05 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.618 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 2.3 m95 -69.87 -25.38 63.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 108.06 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.473 ' CA ' ' HB3' ' A' ' 37' ' ' LYS . . . 106.08 27.96 5.43 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.596 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 1.1 p90 -147.93 145.32 28.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 0.793 . . . . 0.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.9 mmt180 -108.64 173.23 6.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.318 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.452 ' CD1' HD11 ' A' ' 73' ' ' ILE . 94.4 mt -131.41 157.17 44.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -157.66 149.69 22.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.467 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 99.74 -159.68 19.64 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 125.06 -168.24 17.2 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.75 -54.41 11.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 0.755 . . . . 0.0 109.324 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -59.53 -17.58 33.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -96.51 -16.03 21.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 67.65 41.44 2.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.467 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 3.8 ptm -161.86 165.14 16.68 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 156.65 42.8 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.505 1.792 . . . . 0.0 110.992 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.7 mt -75.16 117.54 17.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -125.84 167.76 14.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.403 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.421 HD12 ' CD2' ' A' ' 21' ' ' LEU . 37.6 mm -78.68 103.77 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.416 ' HB3' ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -47.65 -59.45 3.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.963 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.97 176.45 12.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.085 . . . . 0.0 110.05 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.52 HD11 ' CA ' ' A' ' 43' ' ' SER . 0.2 OUTLIER -120.45 153.0 37.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.473 ' HB3' ' CA ' ' A' ' 18' ' ' GLY . 0.0 OUTLIER -100.52 138.72 37.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -48.64 123.73 7.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 41.7 55.63 3.87 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.464 1.102 . . . . 0.0 111.04 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -103.37 163.04 15.7 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.67 -52.59 13.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 0.789 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.474 ' CB ' ' HB3' ' A' ' 19' ' ' PHE . . . -46.77 -64.0 0.88 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.52 ' CA ' HD11 ' A' ' 36' ' ' LEU . 83.3 p -47.26 -48.3 24.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.983 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -56.98 -24.07 50.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 110.286 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 42' ' ' ALA . . . -91.5 18.9 6.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 53.03 38.96 28.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.6 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 23.0 t -90.47 115.6 30.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 5.2 mtm180 -99.35 155.05 17.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 28.4 mm -63.57 141.53 18.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.137 . . . . 0.0 109.323 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 101.79 -13.14 57.87 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.506 1.129 . . . . 0.0 111.045 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -55.96 126.85 27.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 0.786 . . . . 0.0 109.277 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 71.1 t -93.96 133.59 34.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.474 HG13 ' CG1' ' A' ' 56' ' ' ILE . 64.4 t -87.44 103.8 13.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 61.7 mt -70.84 -40.97 72.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.322 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.474 ' O ' ' CG1' ' A' ' 53' ' ' VAL . 12.7 p -135.85 170.31 16.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.987 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.474 ' CG1' HG13 ' A' ' 53' ' ' VAL . 63.5 mt -145.36 120.62 3.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 81' ' ' ASN . 43.1 t0 59.3 27.54 16.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 83.13 7.86 86.35 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.495 1.122 . . . . 0.0 110.961 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.416 HG21 ' N ' ' A' ' 60' ' ' SER . 1.2 mt -106.01 154.82 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 0.789 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.416 ' N ' HG21 ' A' ' 59' ' ' ILE . 1.8 t -68.83 123.82 22.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 110.003 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -106.58 34.05 3.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -99.83 81.16 2.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.326 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 135.54 -47.3 0.99 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.518 1.136 . . . . 0.0 111.037 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 30.8 mtm -39.58 127.96 1.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 0.747 . . . . 0.0 111.003 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 69.3 p -71.88 171.17 12.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.414 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -52.2 -59.78 3.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.556 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.9 tp -49.72 -54.95 15.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.25 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -50.28 -59.06 4.33 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 0.0 110.255 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.66 -51.28 57.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.26 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -53.48 -44.64 69.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -50.8 -53.29 33.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.5 mmmm -51.25 -62.1 1.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.452 HD11 ' CD1' ' A' ' 21' ' ' LEU . 4.2 mt -47.36 -39.95 6.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.08 -42.7 91.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.262 -179.959 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.9 p . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.58 ' HB2' ' CH2' ' A' ' 17' ' ' TRP . 10.8 tp -122.08 119.04 30.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' A' ' 57' ' ' ASP . 1.2 m-80 -114.08 105.06 12.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.431 1.082 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.448 ' HE2' ' CD2' ' A' ' 80' ' ' LEU . 39.0 mtm -139.29 155.76 47.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 110.976 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.401 ' OG1' ' OG ' ' A' ' 55' ' ' SER . 16.6 m -102.7 150.67 23.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.427 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 58.4 mt -119.93 161.94 20.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -110.56 119.74 40.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 110.275 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 110.304 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.4 p -101.48 152.92 20.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 0.78 . . . . 0.0 110.028 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.474 ' CG2' ' N ' ' A' ' 10' ' ' SER . 1.7 p -122.41 165.26 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.474 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 41.6 t -131.25 124.89 31.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.004 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 15.9 mt -111.95 148.82 32.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.1 p -116.5 106.43 20.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -177.38 154.19 15.09 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.525 1.14 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.523 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.0 -5.5 16.87 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.522 1.801 . . . . 0.0 110.951 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.614 ' O ' ' CD1' ' A' ' 17' ' ' TRP . . . 161.51 -50.05 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.418 1.074 . . . . 0.0 109.355 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.533 ' CD ' ' N ' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -75.0 77.72 3.06 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.524 1.802 . . . . 0.0 111.01 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.614 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 2.5 m95 -71.72 -24.22 61.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 108.002 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 108.7 -6.86 33.5 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.497 1.123 . . . . 0.0 111.028 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.583 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 1.4 p90 -109.37 151.6 26.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 0.794 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.457 ' CB ' ' HB3' ' A' ' 34' ' ' SER . 0.0 OUTLIER -115.19 175.4 5.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.329 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.449 ' CD1' HD12 ' A' ' 73' ' ' ILE . 90.2 mt -137.38 147.33 45.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 22.0 pt20 -146.63 147.28 30.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.311 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.486 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 103.66 -164.95 15.38 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.519 1.137 . . . . 0.0 110.989 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 135.81 179.24 16.41 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.4 ttpt -66.67 -42.46 86.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 0.774 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -69.72 -17.46 63.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.496 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 11.3 m-85 -93.99 -25.76 17.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.496 ' CB ' ' O ' ' A' ' 27' ' ' PHE . 2.9 t-20 81.61 37.65 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.107 . . . . 0.0 109.277 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.486 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 5.4 ptm -159.82 164.02 21.24 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 156.99 42.78 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.492 1.785 . . . . 0.0 110.986 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 mt -75.65 108.04 8.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.271 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -114.29 167.55 10.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.376 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.42 ' CG1' ' HB2' ' A' ' 51' ' ' ASP . 49.2 mm -78.55 98.67 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.257 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.457 ' HB3' ' CB ' ' A' ' 20' ' ' ARG . 1.0 OUTLIER -44.36 -57.46 3.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.977 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.44 ' HA ' ' CD1' ' A' ' 49' ' ' ILE . 0.6 OUTLIER -158.46 179.33 9.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.992 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -127.45 167.85 15.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -115.1 135.0 54.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.096 . . . . 0.0 109.329 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.7 p-10 -40.94 117.81 0.9 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 109.265 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 51.47 43.17 52.11 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.479 1.112 . . . . 0.0 110.951 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 37' ' ' LYS . . . -84.86 158.82 33.79 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.19 -67.38 0.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 0.746 . . . . 0.0 109.343 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -40.42 -56.95 1.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 14.3 t -52.32 -46.01 65.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.011 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -59.27 -22.5 61.25 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.455 ' CB ' HG23 ' A' ' 9' ' ' VAL . . . -93.21 13.63 20.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 65.54 44.36 3.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.615 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 93.6 t -100.51 113.03 35.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.3 mtm180 -101.24 160.71 14.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.44 ' CD1' ' HA ' ' A' ' 35' ' ' SER . 5.9 mt -64.97 141.76 17.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.426 ' N ' HG21 ' A' ' 49' ' ' ILE . . . 103.45 -17.45 50.67 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.474 1.109 . . . . 0.0 110.989 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.42 ' HB2' ' CG1' ' A' ' 33' ' ' ILE . 37.8 m-20 -53.85 127.39 25.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 0.786 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 76.9 t -91.04 130.0 40.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.349 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.459 HG13 ' CG1' ' A' ' 56' ' ' ILE . 48.3 t -85.25 101.44 9.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 34.8 mt -66.96 -40.81 87.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.3 p -139.41 165.99 25.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.993 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.467 HG22 ' CB ' ' A' ' 72' ' ' LYS . 30.7 mt -138.77 93.53 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 81' ' ' ASN . 6.0 t0 74.66 46.5 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.262 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.7 9.31 61.98 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.445 1.091 . . . . 0.0 110.962 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.7 mm -107.48 142.77 19.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.556 0.798 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.97 123.47 22.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.088 . . . . 0.0 109.959 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -95.75 26.57 3.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -91.18 82.95 5.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.268 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 127.48 -47.8 1.0 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.534 1.146 . . . . 0.0 111.034 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 22.2 mtm -39.0 124.46 1.43 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 0.779 . . . . 0.0 111.016 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.4 p -70.65 164.97 23.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.388 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -48.31 -57.57 5.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.601 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.0 tp -48.86 -57.12 6.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -51.64 -59.78 3.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -48.76 -46.22 40.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -62.82 -34.54 77.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.6 -50.94 71.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.467 ' CB ' HG22 ' A' ' 56' ' ' ILE . 10.0 mmtt -51.02 -48.55 61.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.449 HD12 ' CD1' ' A' ' 21' ' ' LEU . 5.3 mt -47.51 -42.3 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -65.18 -33.55 76.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 72' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.7 p . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.593 ' HB2' ' CH2' ' A' ' 17' ' ' TRP . 11.2 tp -111.08 142.03 43.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.439 ' O ' ' N ' ' A' ' 57' ' ' ASP . 0.5 OUTLIER -131.03 104.67 7.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.472 ' HE2' ' CZ ' ' A' ' 19' ' ' PHE . 29.0 mtm -139.54 137.17 35.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.8 m -83.34 147.93 27.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.386 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 53.3 mt -118.02 162.23 18.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.423 ' HG2' ' N ' ' A' ' 86' ' ' ARG . 0.2 OUTLIER -117.41 143.89 45.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.423 ' N ' ' HG2' ' A' ' 85' ' ' GLN . 2.0 mpt_? . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 110.291 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.8 p -100.16 148.33 24.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 0.786 . . . . 0.0 109.958 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.468 ' CG2' ' N ' ' A' ' 10' ' ' SER . 1.5 p -117.31 164.52 13.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.468 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 26.3 t -135.67 126.3 27.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.005 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 18.9 mt -112.27 151.35 29.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.108 . . . . 0.0 109.314 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.445 ' O ' ' CD ' ' A' ' 41' ' ' LYS . 7.4 p -117.04 106.44 20.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -177.04 156.59 20.72 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.493 1.121 . . . . 0.0 111.031 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.523 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.01 -6.01 17.51 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.546 1.814 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.613 ' O ' ' CD1' ' A' ' 17' ' ' TRP . . . 161.89 -50.22 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.53 ' CD ' ' N ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.01 78.11 2.98 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.482 1.78 . . . . 0.0 111.026 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.613 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 1.8 m95 -72.17 -23.5 61.29 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 113.63 -18.37 20.03 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.564 1.165 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.539 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 1.1 p90 -105.15 158.62 16.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 0.788 . . . . 0.0 110.999 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -126.44 171.12 11.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.407 ' N ' ' HB3' ' A' ' 34' ' ' SER . 59.6 mt -117.07 160.99 20.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -154.0 146.74 24.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 110.258 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.475 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 97.36 -160.01 21.24 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.497 1.123 . . . . 0.0 111.053 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 28' ' ' ASN . . . 130.25 172.66 13.19 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.7 ttpt -62.03 -47.11 86.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 0.77 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -64.51 -19.81 65.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.493 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 6.1 m-85 -93.98 -28.69 15.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.981 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' A' ' 27' ' ' PHE . 2.1 t-20 81.03 56.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.475 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 3.6 ptm -176.13 166.54 1.66 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 111.013 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 152.97 41.51 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.492 1.785 . . . . 0.0 110.99 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 mt -74.65 115.42 14.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -124.46 173.19 8.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.377 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 25.3 mm -78.64 111.42 15.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.407 ' HB3' ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -58.75 -59.91 4.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.99 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.58 -176.96 6.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.979 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.455 ' CD2' ' HB2' ' A' ' 42' ' ' ALA . 0.4 OUTLIER -150.49 159.56 44.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -95.54 145.46 25.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -47.52 112.18 0.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 50.64 44.54 47.43 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.51 1.131 . . . . 0.0 110.976 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.83 -149.72 0.59 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.445 ' CD ' ' O ' ' A' ' 12' ' ' VAL . 1.1 mttp -86.98 -42.2 13.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 109.321 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.455 ' HB2' ' CD2' ' A' ' 36' ' ' LEU . . . -62.44 -41.54 98.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 32.0 t -57.97 -43.13 86.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.026 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -67.62 -23.38 65.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 110.294 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -89.26 13.72 12.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.439 ' O ' ' NH1' ' A' ' 48' ' ' ARG . 8.8 m-70 59.2 45.89 13.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.634 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 96.2 t -107.15 122.52 61.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.439 ' NH1' ' O ' ' A' ' 46' ' ' HIS . 0.0 OUTLIER -109.65 162.63 14.24 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 110.304 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.1 mt -70.48 134.23 30.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 111.79 -14.04 26.95 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.539 1.15 . . . . 0.0 111.019 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -60.09 129.44 41.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 0.76 . . . . 0.0 109.252 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 79.8 t -94.01 128.4 45.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.447 HG13 ' CG1' ' A' ' 56' ' ' ILE . 40.8 t -82.7 104.33 11.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 60.0 mt -70.75 -36.22 73.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.4 p -144.06 163.44 33.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.009 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.447 ' CG1' HG13 ' A' ' 53' ' ' VAL . 48.0 mt -136.58 90.49 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.576 1.173 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 18.7 t0 71.64 49.76 0.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.28 10.17 62.15 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.571 1.169 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 9.3 mm -105.54 133.66 49.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 0.77 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.39 121.49 16.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.992 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -91.75 21.89 4.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.335 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -89.35 101.24 13.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 106.89 -41.55 2.16 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 21.2 mtm -45.79 132.38 8.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 0.742 . . . . 0.0 110.982 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.9 p -74.73 171.44 13.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.123 . . . . 0.0 110.413 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -54.59 -56.93 13.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.582 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.554 ' CD1' ' N ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -48.42 -50.79 29.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.554 ' N ' ' CD1' ' A' ' 67' ' ' LEU . 1.0 OUTLIER -49.55 -65.12 0.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.311 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -48.11 -38.28 17.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -68.93 -37.04 78.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.323 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.434 ' ND2' HD22 ' A' ' 67' ' ' LEU . 1.3 m-20 -58.72 -48.24 81.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.6 mmtm -58.08 -49.64 76.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.407 ' CD1' HD13 ' A' ' 21' ' ' LEU . 5.8 mt -49.85 -42.44 18.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -63.97 -37.08 86.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 179.943 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.1 p . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.573 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 12.7 tp -111.82 115.16 28.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -110.12 104.95 13.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.521 ' HE3' ' CZ ' ' A' ' 19' ' ' PHE . 28.9 mtm -134.16 151.27 51.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 111.041 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.4 m -97.73 145.51 26.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 110.444 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 32.4 mt -113.85 162.72 15.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -112.3 129.1 56.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 40.9 t -96.3 161.59 13.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 0.759 . . . . 0.0 110.001 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.472 ' CG2' ' N ' ' A' ' 10' ' ' SER . 1.2 p -130.96 163.79 35.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.472 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 26.8 t -137.24 123.89 21.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.019 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 31.7 mt -115.31 151.64 34.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.237 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 74.7 t -117.76 106.67 20.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -176.51 155.01 17.85 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.477 1.111 . . . . 0.0 111.027 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.524 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.98 -6.34 17.94 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.516 1.798 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.627 ' O ' ' CD1' ' A' ' 17' ' ' TRP . . . 161.72 -50.09 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.01 76.9 3.27 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.5 1.789 . . . . 0.0 110.981 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.627 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 2.1 m95 -71.35 -23.96 62.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 108.002 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 108.91 6.11 30.45 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.469 1.106 . . . . 0.0 111.04 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.569 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 1.7 p90 -125.33 160.72 28.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 0.77 . . . . 0.0 111.032 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.0 175.51 6.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 110.333 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.455 HD11 ' CD1' ' A' ' 73' ' ' ILE . 73.6 mt -137.06 151.3 48.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -151.89 149.59 29.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.291 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.475 ' CA ' ' HG2' ' A' ' 29' ' ' MET . . . 106.63 -153.1 16.97 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 116.44 175.51 17.78 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -64.63 -22.86 67.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 0.77 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -78.8 -34.02 45.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -93.67 16.24 14.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.959 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 49.68 47.2 23.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.271 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.475 ' HG2' ' CA ' ' A' ' 23' ' ' GLY . 1.9 ptm -168.98 171.92 3.17 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 111.0 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.406 ' O ' ' HG3' ' A' ' 29' ' ' MET . 18.4 Cg_endo -74.98 -161.56 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.525 1.803 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.0 mt -116.25 105.74 12.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -112.98 168.1 9.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 110.404 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 21.4 mm -78.44 105.65 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.74 -58.16 9.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.99 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -153.24 -179.21 7.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 109.981 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.413 ' CD1' ' HB2' ' A' ' 42' ' ' ALA . 0.2 OUTLIER -149.24 163.57 37.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.4 tttp -96.27 147.46 23.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -54.08 113.2 1.15 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 62.63 33.71 87.45 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.499 1.125 . . . . 0.0 110.977 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.8 178.88 24.0 Favored Glycine 0 CA--C 1.529 0.95 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.59 -55.91 22.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 0.748 . . . . 0.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.413 ' HB2' ' CD1' ' A' ' 36' ' ' LEU . . . -45.94 -46.12 15.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.3 t -57.61 -43.05 84.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 110.016 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -65.44 -24.36 67.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.289 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.447 ' HB2' ' CG2' ' A' ' 9' ' ' VAL . . . -89.4 11.04 20.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 32.7 m-70 64.6 37.72 7.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.575 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 88.9 t -96.61 116.72 39.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 0.0 109.245 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 -103.78 157.9 16.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.285 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.2 mt -67.06 134.77 29.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.286 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 107.49 -4.86 35.05 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -69.17 125.71 27.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 0.768 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 82.5 t -89.85 132.34 34.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.338 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.1 t -83.83 102.75 10.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.347 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 50.1 mt -67.45 -44.08 79.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.1 p -138.99 170.26 16.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.973 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.42 HG23 ' CB ' ' A' ' 72' ' ' LYS . 91.6 mt -141.97 91.86 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 81' ' ' ASN . 13.0 t0 68.64 50.74 0.65 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 73.07 3.25 60.15 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.0 mm -97.27 145.98 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 0.756 . . . . 0.0 109.283 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.83 117.47 23.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.042 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -92.95 28.91 1.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -80.41 -57.23 3.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.274 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -105.25 50.17 0.85 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.515 1.135 . . . . 0.0 111.0 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 30.3 mtm -131.07 132.42 44.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 110.997 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 81.5 p -75.68 171.49 14.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.571 1.169 . . . . 0.0 110.422 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.435 ' NE2' ' O ' ' A' ' 21' ' ' LEU . 3.1 t-160 -53.1 -50.62 64.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 109.574 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.545 ' CD1' ' N ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -56.49 -49.54 74.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.545 ' N ' ' CD1' ' A' ' 67' ' ' LEU . 2.3 mt-10 -48.07 -60.32 2.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.296 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.77 -48.7 69.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -56.69 -43.61 80.66 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 110.312 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.427 ' ND2' HD23 ' A' ' 67' ' ' LEU . 1.6 m-20 -52.8 -47.94 67.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 75' ' ' ALA . 30.9 mmtm -58.51 -55.93 28.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.455 ' CD1' HD11 ' A' ' 21' ' ' LEU . 7.7 mt -49.26 -40.52 13.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.7 mttp -62.88 -31.18 72.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 72' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.5 p . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.593 ' HB2' ' CH2' ' A' ' 17' ' ' TRP . 12.8 tp -117.49 119.48 35.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.427 ' O ' ' N ' ' A' ' 57' ' ' ASP . 1.0 OUTLIER -114.26 104.82 12.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.107 . . . . 0.0 109.27 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 33.5 mtm -139.0 159.28 42.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 111.019 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.5 m -107.25 147.9 29.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.164 . . . . 0.0 110.349 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 41.6 mt -115.16 163.59 15.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.268 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -111.66 123.75 50.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.128 . . . . 0.0 110.259 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.417 ' HD2' ' N ' ' A' ' 86' ' ' ARG . 1.6 mpt_? . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.311 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 39.6 t -96.18 161.9 13.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 0.748 . . . . 0.0 110.044 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.468 ' CG2' ' N ' ' A' ' 10' ' ' SER . 1.7 p -139.57 165.24 22.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.468 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 32.6 t -132.38 136.95 47.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.994 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 26.4 mt -125.18 148.16 48.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.433 HG12 ' CE ' ' A' ' 41' ' ' LYS . 7.6 p -114.78 107.19 22.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -172.11 154.25 21.17 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.519 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.97 -6.51 18.17 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.566 1.824 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.639 ' O ' ' CD1' ' A' ' 17' ' ' TRP . . . 161.26 -49.57 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' ' 15' ' ' ALA . 18.1 Cg_endo -75.07 79.86 2.58 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.479 1.779 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.639 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 2.3 m95 -75.04 -23.05 58.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 107.996 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.476 ' CA ' ' HB3' ' A' ' 37' ' ' LYS . . . 104.67 27.83 5.9 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.507 1.129 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.567 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 1.6 p90 -150.78 151.94 33.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 0.77 . . . . 0.0 110.985 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.2 mmt-85 -119.24 166.26 13.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.448 ' CD1' HD13 ' A' ' 73' ' ' ILE . 96.2 mt -126.37 155.36 42.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -155.21 149.72 26.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 110.276 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.468 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 102.4 -161.56 17.06 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.488 1.118 . . . . 0.0 111.03 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 126.46 -173.51 18.07 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.408 ' CA ' ' HE2' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -66.93 -50.02 63.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 0.758 . . . . 0.0 109.297 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -61.05 -20.06 62.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -96.39 -16.54 21.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.5 t30 69.5 38.31 1.79 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.468 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 3.3 ptm -157.21 165.09 19.55 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 110.996 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 155.79 42.82 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.526 1.803 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.6 mt -75.18 112.88 11.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -121.59 168.03 12.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.406 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 29.0 mm -78.54 105.2 7.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.93 -62.28 1.61 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.011 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -149.83 174.7 12.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.033 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.505 HD12 ' CA ' ' A' ' 43' ' ' SER . 0.2 OUTLIER -120.03 154.95 33.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.258 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.476 ' HB3' ' CA ' ' A' ' 18' ' ' GLY . 0.0 OUTLIER -100.13 135.14 42.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.29 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -49.52 123.26 7.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.335 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 44.01 50.78 7.44 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.47 1.106 . . . . 0.0 110.992 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -98.66 179.65 31.76 Favored Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.433 ' CE ' HG12 ' A' ' 12' ' ' VAL . 0.1 OUTLIER -62.88 -57.02 12.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 0.784 . . . . 0.0 109.305 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.431 ' CB ' ' HB3' ' A' ' 19' ' ' PHE . . . -41.66 -61.77 1.02 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.505 ' CA ' HD12 ' A' ' 36' ' ' LEU . 38.8 t -47.42 -48.4 26.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.432 1.082 . . . . 0.0 109.956 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -57.2 -27.36 61.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 42' ' ' ALA . . . -87.5 11.64 14.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 34.1 m-70 61.25 36.92 17.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.635 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 86.3 t -94.35 110.06 23.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.9 mtm180 -102.11 162.27 13.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.0 mt -61.71 132.13 27.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 114.06 -18.24 19.01 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.478 1.111 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -53.66 124.05 14.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 0.779 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 85.5 t -94.36 128.61 45.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.467 ' CG1' HG13 ' A' ' 56' ' ' ILE . 22.1 t -80.55 111.53 17.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 45.0 mt -76.81 -38.11 54.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.371 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.9 m -152.77 158.14 41.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 109.998 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.467 HG13 ' CG1' ' A' ' 53' ' ' VAL . 18.1 mt -132.69 130.29 59.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 81' ' ' ASN . 39.0 t0 54.58 29.12 10.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 85.54 1.17 87.85 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.471 1.107 . . . . 0.0 111.025 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.47 HG13 ' CE ' ' A' ' 72' ' ' LYS . 5.9 mm -94.84 126.4 47.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.447 0.734 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.22 123.15 19.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.983 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -89.51 43.17 1.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -90.95 62.21 4.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.281 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 120.14 43.15 0.49 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.517 1.136 . . . . 0.0 110.953 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 5.4 mtm -115.54 137.52 51.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 0.747 . . . . 0.0 111.001 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.4 p -80.68 164.27 22.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 110.43 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -52.2 -56.8 12.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.634 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.0 tp -46.61 -50.87 16.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 109.355 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -51.02 -69.14 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.332 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -47.73 -44.55 27.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -58.81 -40.56 84.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.99 -50.65 72.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.47 ' CE ' HG13 ' A' ' 59' ' ' ILE . 36.0 mmtt -52.95 -58.54 6.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.421 1.076 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.448 HD13 ' CD1' ' A' ' 21' ' ' LEU . 6.4 mt -44.57 -47.41 2.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.0 mttp -60.54 -38.97 86.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 72' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.265 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.2 p . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.583 ' HB2' ' CH2' ' A' ' 17' ' ' TRP . 9.3 tp -110.64 121.76 46.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.451 ' O ' ' N ' ' A' ' 57' ' ' ASP . 0.9 OUTLIER -116.43 105.22 12.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 27.9 mtm -136.77 156.04 49.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.138 . . . . 0.0 111.012 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.8 m -104.18 146.1 29.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.411 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 47.7 mt -115.78 162.1 17.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.261 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -110.31 119.28 38.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.309 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.088 . . . . 0.0 110.288 -179.94 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 40.8 t -94.44 163.24 13.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 0.767 . . . . 0.0 109.991 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.465 ' CG2' ' N ' ' A' ' 10' ' ' SER . 0.9 OUTLIER -137.94 163.4 29.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.465 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 47.2 t -136.2 130.29 32.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.025 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 54.9 mt -119.69 148.01 43.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 76.1 t -115.69 106.66 20.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -174.63 156.36 22.81 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.512 1.132 . . . . 0.0 111.05 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.507 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.01 -5.8 17.25 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.518 1.799 . . . . 0.0 110.962 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.633 ' O ' ' CD1' ' A' ' 17' ' ' TRP . . . 161.8 -50.15 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.545 ' CD ' ' N ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.95 78.81 2.79 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.451 1.763 . . . . 0.0 111.028 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.633 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 1.9 m95 -73.3 -23.72 60.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 107.983 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.459 ' CA ' ' HB3' ' A' ' 37' ' ' LYS . . . 107.45 26.19 5.74 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.472 1.107 . . . . 0.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.603 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 0.9 OUTLIER -147.86 149.55 32.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 0.751 . . . . 0.0 110.962 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.415 ' CB ' ' OG ' ' A' ' 34' ' ' SER . 2.8 mmt180 -113.23 174.63 5.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.42 ' N ' ' HB3' ' A' ' 34' ' ' SER . 54.6 mt -131.1 159.77 36.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -160.41 145.72 14.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.479 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 102.34 -160.52 17.44 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.488 1.118 . . . . 0.0 110.984 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 127.63 175.21 14.01 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.18 -36.53 84.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 0.749 . . . . 0.0 109.302 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.54 -20.93 61.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.433 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 27.0 m-85 -95.87 -17.47 21.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.087 . . . . 0.0 111.0 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.433 ' CB ' ' O ' ' A' ' 27' ' ' PHE . 20.2 t-20 78.29 36.64 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.479 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 4.3 ptm -159.73 164.56 19.97 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.959 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 157.59 42.54 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.466 1.771 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.6 mt -75.42 118.44 18.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -127.2 168.73 14.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.093 . . . . 0.0 110.389 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 37.8 mm -78.66 104.23 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.42 ' HB3' ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -48.78 -60.24 2.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.967 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.75 176.36 12.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.113 . . . . 0.0 109.953 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.494 HD13 ' CA ' ' A' ' 43' ' ' SER . 0.4 OUTLIER -117.23 154.22 31.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.459 ' HB3' ' CA ' ' A' ' 18' ' ' GLY . 0.0 OUTLIER -97.23 136.02 38.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.69 112.56 0.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 58.49 46.3 93.32 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.453 1.096 . . . . 0.0 111.035 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -90.92 178.44 42.22 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -71.48 -54.78 9.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.766 . . . . 0.0 109.305 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.474 ' CB ' ' HB3' ' A' ' 19' ' ' PHE . . . -40.23 -60.73 1.01 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.494 ' CA ' HD13 ' A' ' 36' ' ' LEU . 5.9 p -47.46 -48.37 26.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.999 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -63.54 -22.64 67.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 42' ' ' ALA . . . -90.74 16.72 8.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.419 ' HA ' ' NH2' ' A' ' 48' ' ' ARG . 13.5 m-70 59.13 50.25 8.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.102 . . . . 0.0 109.579 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 44.5 t -108.77 99.24 8.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.42 ' NH2' ' O ' ' A' ' 43' ' ' SER . 8.8 mmp_? -87.94 166.42 14.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.0 mt -72.33 133.36 31.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 107.27 -9.67 39.08 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.506 1.129 . . . . 0.0 111.032 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -58.51 125.05 21.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 0.751 . . . . 0.0 109.308 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 72.3 t -93.11 129.86 43.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.506 ' CG1' ' O ' ' A' ' 55' ' ' SER . 99.8 t -84.1 104.57 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 32.6 mt -69.29 -45.46 69.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.506 ' O ' ' CG1' ' A' ' 53' ' ' VAL . 87.8 p -130.92 172.76 11.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.006 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.479 HG13 ' CG1' ' A' ' 53' ' ' VAL . 17.5 mt -146.12 92.68 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 81' ' ' ASN . 7.3 t0 71.57 43.86 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.112 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 75.63 5.3 78.2 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.459 1.1 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.42 ' O ' ' N ' ' A' ' 56' ' ' ILE . 2.9 mm -103.4 137.58 31.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 0.768 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.4 t -67.74 120.92 14.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.976 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -102.35 40.21 1.39 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -88.87 -48.22 7.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -113.5 52.64 0.63 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.543 1.152 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 8.1 mtm -129.27 135.5 48.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 0.739 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 19.4 p -79.96 165.45 22.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.391 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -47.43 -48.89 26.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.578 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.537 ' CD1' ' N ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -57.09 -54.35 47.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.537 ' N ' ' CD1' ' A' ' 67' ' ' LEU . 9.7 mm-40 -45.54 -57.03 4.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.62 -51.89 66.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -53.16 -47.3 68.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.431 ' ND2' ' CD2' ' A' ' 67' ' ' LEU . 1.9 m-20 -52.1 -48.66 64.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.1 mmtt -59.51 -57.74 11.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.409 ' CD1' HD13 ' A' ' 21' ' ' LEU . 5.3 mt -50.96 -40.22 20.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.343 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.0 tttt -65.47 -32.47 74.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.577 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 12.7 tp -114.42 118.38 33.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.415 ' O ' ' N ' ' A' ' 57' ' ' ASP . 1.2 m-80 -116.61 105.04 12.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.09 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.44 ' HE3' ' CD2' ' A' ' 80' ' ' LEU . 25.3 mtm -140.56 152.85 45.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.9 m -98.45 147.44 24.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.393 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 17.6 mt -114.77 166.18 12.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.426 ' HG2' ' N ' ' A' ' 86' ' ' ARG . 0.0 OUTLIER -117.28 137.74 52.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.298 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.426 ' N ' ' HG2' ' A' ' 85' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.31 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.7 p -93.5 151.66 19.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 0.791 . . . . 0.0 109.983 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.458 ' CG2' ' N ' ' A' ' 10' ' ' SER . 1.3 p -122.03 163.34 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.458 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 47.3 t -133.37 115.65 15.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.017 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 34.5 mt -102.99 149.97 24.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.273 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 77.9 t -117.94 106.35 19.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -177.26 156.88 21.21 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.519 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.04 -4.88 16.05 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.493 1.786 . . . . 0.0 111.031 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.557 ' O ' ' CD1' ' A' ' 17' ' ' TRP . . . 161.67 -50.14 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.546 ' CD ' ' N ' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -75.02 77.61 3.1 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.509 1.794 . . . . 0.0 111.02 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.589 ' CZ2' ' HB2' ' A' ' 80' ' ' LEU . 2.8 m95 -70.19 -25.96 63.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 107.952 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.475 ' CA ' ' HB3' ' A' ' 37' ' ' LYS . . . 106.28 29.11 4.94 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.483 1.115 . . . . 0.0 110.976 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.601 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 0.8 OUTLIER -148.95 149.56 31.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 0.796 . . . . 0.0 111.018 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.4 mmm180 -114.44 175.71 5.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 110.343 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.477 ' CD1' HD13 ' A' ' 73' ' ' ILE . 69.6 mt -135.1 152.25 51.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -153.03 143.32 22.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.565 1.166 . . . . 0.0 110.286 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.477 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 107.98 -157.72 15.23 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.493 1.121 . . . . 0.0 111.029 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 122.97 -169.96 15.35 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.39 -55.88 8.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 0.765 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -56.46 -19.33 14.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -95.85 -20.37 18.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 111.014 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 72.78 43.5 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.477 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 4.7 ptm -164.57 164.99 13.13 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 155.89 43.01 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.529 1.805 . . . . 0.0 111.009 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.7 mt -75.35 111.96 11.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.255 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -117.94 167.78 11.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.427 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 30.0 mm -78.46 100.35 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.404 ' HB3' ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -45.9 -59.61 2.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 109.994 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -153.8 175.37 13.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.997 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.496 HD11 ' CA ' ' A' ' 43' ' ' SER . 0.2 OUTLIER -119.57 163.54 17.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.272 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.475 ' HB3' ' CA ' ' A' ' 18' ' ' GLY . 13.0 tttp -109.67 128.28 55.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -43.34 121.52 2.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 45.8 53.77 8.43 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -103.08 165.44 16.03 Favored Glycine 0 CA--C 1.531 1.057 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.09 -48.51 64.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 0.785 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.477 ' CB ' ' HB3' ' A' ' 19' ' ' PHE . . . -48.98 -63.91 0.96 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.496 ' CA ' HD11 ' A' ' 36' ' ' LEU . 83.8 p -47.25 -48.26 24.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.0 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -54.91 -26.2 34.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.36 12.56 13.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 10.5 m170 59.87 42.95 15.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.623 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 98.1 t -98.5 112.36 30.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.408 1.067 . . . . 0.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.5 mtm180 -101.47 161.5 13.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 110.284 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.1 mt -64.92 133.72 30.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 112.84 -18.42 22.03 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.566 1.166 . . . . 0.0 111.03 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -53.84 126.04 20.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.757 . . . . 0.0 109.236 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 82.7 t -94.66 132.61 38.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.33 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.464 HG13 ' CG1' ' A' ' 56' ' ' ILE . 43.4 t -89.11 104.85 15.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 42.5 mt -73.28 -42.62 62.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.3 p -131.89 164.47 26.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 110.007 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.47 ' CD1' ' HB2' ' A' ' 69' ' ' ALA . 55.5 mt -142.26 98.32 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 81' ' ' ASN . 16.2 t0 71.23 50.65 0.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.113 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 65.44 13.18 57.96 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.536 1.147 . . . . 0.0 111.008 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.418 HG13 ' CE ' ' A' ' 72' ' ' LYS . 3.1 mm -109.36 143.41 19.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.498 0.763 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.4 t -75.07 123.88 25.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 110.008 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -98.75 28.24 4.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -92.97 53.51 2.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 0.0 110.321 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 142.66 45.22 0.05 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 9.1 mtm -129.45 135.48 48.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 0.754 . . . . 0.0 110.989 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.9 p -72.23 161.9 30.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.42 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.452 ' NE2' ' C ' ' A' ' 21' ' ' LEU . 3.1 t-160 -51.92 -50.46 61.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.596 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.544 ' CD1' ' N ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -53.98 -54.49 38.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.544 ' N ' ' CD1' ' A' ' 67' ' ' LEU . 54.6 mm-40 -46.66 -60.14 2.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 110.277 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.47 ' HB2' ' CD1' ' A' ' 56' ' ' ILE . . . -51.71 -43.57 62.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -64.02 -37.19 86.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.566 1.166 . . . . 0.0 110.263 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.411 ' ND2' HD22 ' A' ' 67' ' ' LEU . 1.7 m-20 -62.02 -46.46 89.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.444 ' CB ' HG23 ' A' ' 56' ' ' ILE . 20.7 mmtm -57.72 -52.47 65.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.477 HD13 ' CD1' ' A' ' 21' ' ' LEU . 6.1 mt -45.54 -41.98 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.108 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.66 -40.35 87.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 72' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.4 p . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.589 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 11.1 tp -111.0 142.46 43.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.426 ' O ' ' N ' ' A' ' 57' ' ' ASP . 0.6 OUTLIER -131.43 105.11 7.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 39.6 mtm -139.88 144.65 37.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.2 m -91.23 148.37 22.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.393 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 50.6 mt -117.0 166.44 12.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -121.58 125.35 46.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 110.328 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.266 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.9 p -92.37 151.93 20.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 0.781 . . . . 0.0 110.003 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.473 ' CG2' ' N ' ' A' ' 10' ' ' SER . 1.4 p -129.27 164.09 32.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.473 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 40.4 t -128.34 124.44 36.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.996 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.428 ' CD1' ' HB3' ' A' ' 17' ' ' TRP . 6.3 mt -99.82 147.87 25.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.168 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 76.2 t -118.05 106.44 19.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.292 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -178.93 156.95 19.98 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.514 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -75.0 -5.22 16.52 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.506 1.793 . . . . 0.0 111.032 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.54 ' N ' ' CD ' ' A' ' 16' ' ' PRO . . . 161.89 -50.52 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.99 75.88 3.56 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.461 1.769 . . . . 0.0 111.013 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.591 ' CZ2' ' HB2' ' A' ' 80' ' ' LEU . 2.7 m95 -67.19 -27.49 67.31 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.463 ' CA ' ' HB3' ' A' ' 37' ' ' LYS . . . 103.59 29.48 5.6 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.49 1.118 . . . . 0.0 110.966 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.629 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -148.58 148.74 30.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 0.761 . . . . 0.0 110.975 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.68 174.66 6.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.474 HD12 ' CD1' ' A' ' 73' ' ' ILE . 77.9 mt -120.09 160.18 23.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -156.12 149.11 24.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.273 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.48 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 91.14 -162.02 28.22 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.544 1.153 . . . . 0.0 111.012 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 132.11 161.43 10.04 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.86 -29.08 26.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 0.757 . . . . 0.0 109.291 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -79.02 -31.55 44.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -87.39 -3.39 59.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 111.002 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 60.87 53.08 3.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.48 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 4.3 ptm -172.96 165.71 3.24 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.145 . . . . 0.0 110.996 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.4 ' O ' ' HG3' ' A' ' 29' ' ' MET . 18.4 Cg_endo -74.96 155.23 43.13 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.523 1.802 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.8 mt -74.76 119.84 19.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -127.79 171.16 11.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.389 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 22.7 mm -78.47 100.89 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.421 ' HB3' ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -44.49 -57.29 3.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.98 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.0 175.57 13.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 110.009 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.506 HD11 ' CA ' ' A' ' 43' ' ' SER . 0.3 OUTLIER -120.01 167.68 11.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.271 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.463 ' HB3' ' CA ' ' A' ' 18' ' ' GLY . 5.4 tttp -113.95 133.82 55.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.16 118.39 1.89 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 47.84 51.63 17.9 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.51 1.131 . . . . 0.0 111.029 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -98.5 162.66 20.64 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.76 -59.19 3.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 0.743 . . . . 0.0 109.246 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.481 ' CB ' ' HB3' ' A' ' 19' ' ' PHE . . . -42.04 -63.74 0.69 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.107 . . . . 0.0 109.367 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.506 ' CA ' HD11 ' A' ' 36' ' ' LEU . 1.4 t -47.43 -47.8 26.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.025 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -55.06 -25.72 32.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 110.268 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 42' ' ' ALA . . . -90.67 14.92 12.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 64.22 42.43 5.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.582 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 93.1 t -96.08 108.58 21.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.2 mtm180 -105.59 155.62 19.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 2.9 mt -58.57 132.66 23.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.451 1.095 . . . . 0.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 115.12 -19.39 15.22 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.484 1.115 . . . . 0.0 111.025 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -53.99 124.37 15.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 0.758 . . . . 0.0 109.274 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 77.4 t -93.75 128.67 44.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.349 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.468 HG11 ' CG1' ' A' ' 56' ' ' ILE . 36.6 t -87.69 106.59 16.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 40.2 mt -75.82 -33.04 60.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.263 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.407 ' O ' ' CG1' ' A' ' 53' ' ' VAL . 18.0 p -146.14 166.79 25.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.143 . . . . 0.0 110.028 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.468 ' CG1' HG11 ' A' ' 53' ' ' VAL . 85.9 mt -142.94 89.37 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 81' ' ' ASN . 17.7 t0 75.81 55.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 63.43 13.71 51.3 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.528 1.142 . . . . 0.0 110.991 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.403 HG13 ' NZ ' ' A' ' 72' ' ' LYS . 2.3 mm -107.9 138.05 36.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.519 0.776 . . . . 0.0 109.255 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.2 t -73.68 122.76 22.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 109.985 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -103.81 33.22 3.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -74.29 -64.38 1.03 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.301 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -105.46 51.94 0.74 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.528 1.143 . . . . 0.0 111.035 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.7 mtm -117.33 132.53 56.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 0.761 . . . . 0.0 111.016 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 64.3 p -79.85 157.44 26.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.374 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.444 ' NE2' ' C ' ' A' ' 21' ' ' LEU . 2.0 t-160 -43.31 -50.12 6.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.631 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 18.5 tp -55.53 -50.72 69.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.247 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -51.11 -64.69 0.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 110.285 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.03 -48.48 43.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -58.73 -41.12 85.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 110.279 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -52.61 -53.27 49.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 75' ' ' ALA . 25.1 mmmt -47.36 -61.37 1.94 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.474 ' CD1' HD12 ' A' ' 21' ' ' LEU . 5.9 mt -44.92 -48.71 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -51.45 -36.98 46.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 72' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.8 p . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.591 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 14.4 tp -120.32 110.58 16.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 57' ' ' ASP . 1.7 m-80 -98.55 109.24 22.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.09 . . . . 0.0 109.342 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.513 ' HE1' ' CE2' ' A' ' 19' ' ' PHE . 35.0 mtm -134.68 145.15 48.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 111.028 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.402 ' OG1' ' OG ' ' A' ' 55' ' ' SER . 20.3 m -90.69 151.04 21.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.368 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 70.0 mt -125.26 168.13 13.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.117 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.428 ' HG3' ' N ' ' A' ' 86' ' ' ARG . 1.1 tp-100 -129.29 136.8 50.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.308 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.428 ' N ' ' HG3' ' A' ' 85' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.095 . . . . 0.0 110.298 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.0 m -106.47 156.4 18.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 0.764 . . . . 0.0 110.008 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.467 ' CG2' ' N ' ' A' ' 10' ' ' SER . 1.4 p -143.53 164.36 15.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.467 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 9.4 t -134.39 129.37 35.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.008 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 35.4 mt -113.07 148.57 34.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.346 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.1 p -117.8 106.62 20.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -176.2 157.05 22.56 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.461 1.1 . . . . 0.0 111.022 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.52 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.01 -6.06 17.57 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.526 1.803 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.609 ' O ' ' CD1' ' A' ' 17' ' ' TRP . . . 161.96 -50.25 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.57 1.169 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.0 77.46 3.13 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.441 1.758 . . . . 0.0 110.959 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.609 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 2.1 m95 -71.03 -24.9 62.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 108.016 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 37' ' ' LYS . . . 108.06 3.88 33.68 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.498 1.124 . . . . 0.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.608 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 0.7 OUTLIER -121.96 139.77 53.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 0.779 . . . . 0.0 110.968 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.446 ' CB ' ' OG ' ' A' ' 34' ' ' SER . 2.7 mmm180 -106.99 174.32 5.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 110.294 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.479 ' CD1' HD11 ' A' ' 73' ' ' ILE . 72.9 mt -135.5 154.66 51.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -158.94 149.27 19.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 110.297 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.487 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 100.99 -157.38 19.17 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.125 . . . . 0.0 111.043 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 121.96 -175.48 16.31 Favored Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.18 -53.51 43.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 0.754 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -59.16 -17.44 27.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -97.48 -15.05 20.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 110.983 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 70.04 35.48 2.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.255 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.487 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 3.3 ptm -157.61 165.41 18.78 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.149 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 154.43 42.45 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.488 1.783 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.6 mt -75.33 111.27 10.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.7 167.56 11.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.445 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.496 ' CG1' ' OD2' ' A' ' 51' ' ' ASP . 51.4 mm -78.23 102.02 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.446 ' OG ' ' CB ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -44.1 -56.01 4.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.157 . . . . 0.0 110.006 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -161.26 179.95 7.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.992 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.443 HD11 ' CB ' ' A' ' 42' ' ' ALA . 0.2 OUTLIER -130.57 151.94 50.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 18' ' ' GLY . 6.2 ttpt -95.93 149.48 21.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -57.3 118.02 4.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.37 46.71 86.51 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.463 1.102 . . . . 0.0 110.981 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -87.95 160.89 31.44 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.14 -47.07 72.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 0.789 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.469 ' CB ' ' HB3' ' A' ' 19' ' ' PHE . . . -55.59 -56.73 16.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.2 p -54.64 -34.21 61.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.002 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -69.0 -21.95 64.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 110.335 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -89.44 11.14 20.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 13.3 m-70 65.99 37.61 5.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.566 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 60.5 t -94.75 113.58 29.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -95.93 152.23 18.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 110.277 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.408 ' CD1' HG21 ' A' ' 33' ' ' ILE . 21.1 mm -58.34 138.17 19.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 108.91 -11.87 34.7 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.469 1.106 . . . . 0.0 111.011 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.496 ' OD2' ' CG1' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -53.6 142.12 23.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 0.744 . . . . 0.0 109.314 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 75.5 t -110.69 116.79 53.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.474 ' CG1' ' O ' ' A' ' 55' ' ' SER . 61.4 t -71.59 104.6 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 39.7 mt -71.8 -37.45 70.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.474 ' O ' ' CG1' ' A' ' 53' ' ' VAL . 33.9 p -141.01 169.35 17.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.996 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.469 ' CG1' HG13 ' A' ' 53' ' ' VAL . 77.1 mt -143.77 86.28 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 81' ' ' ASN . 5.4 t70 76.73 46.57 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 73.55 2.86 61.1 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.473 1.108 . . . . 0.0 110.984 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.4 mm -97.2 144.22 11.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.482 0.754 . . . . 0.0 109.33 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.64 115.81 16.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 110.004 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -94.8 28.13 2.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -85.67 -49.39 8.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.412 1.07 . . . . 0.0 110.297 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -109.8 47.64 1.02 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.499 1.124 . . . . 0.0 111.042 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 7.7 mtm -129.01 134.82 48.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 0.761 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.452 ' OG1' ' CG ' ' A' ' 68' ' ' GLU . 27.3 p -74.45 171.52 13.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.398 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -54.57 -54.28 43.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.58 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.553 ' CD1' ' N ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -56.94 -47.01 81.68 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.553 ' N ' ' CD1' ' A' ' 67' ' ' LEU . 22.9 mm-40 -47.15 -57.99 4.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.272 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.86 -46.25 88.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.344 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -56.58 -39.69 73.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.289 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.427 ' ND2' HD21 ' A' ' 67' ' ' LEU . 1.8 m-20 -57.97 -50.06 74.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.449 ' CB ' HG23 ' A' ' 56' ' ' ILE . 0.6 OUTLIER -54.32 -63.29 1.2 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.479 HD11 ' CD1' ' A' ' 21' ' ' LEU . 3.4 mt -45.82 -34.34 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.107 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.14 -51.84 67.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.336 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 179.994 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.564 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 14.2 tp -115.4 125.58 53.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 57' ' ' ASP . 1.0 OUTLIER -114.9 105.34 12.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.533 ' HE3' ' CZ ' ' A' ' 19' ' ' PHE . 45.6 mtm -136.0 167.14 21.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 111.042 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.9 m -117.78 147.21 43.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.371 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.7 mt -117.74 159.6 22.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -108.62 123.1 48.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.312 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.309 -179.991 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.8 p -88.73 146.09 25.24 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 0.765 . . . . 0.0 110.016 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -117.04 153.69 18.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 36.1 t -122.62 122.53 39.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.995 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 39.3 mt -113.47 145.05 41.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.4 p -112.79 106.35 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -173.04 154.77 21.39 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.533 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.02 -6.94 18.68 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.438 1.757 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.658 ' O ' ' CD1' ' A' ' 17' ' ' TRP . . . 161.26 -49.63 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.545 ' CD ' ' N ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.96 80.24 2.47 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.505 1.792 . . . . 0.0 111.016 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.658 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 1.9 m95 -75.76 -22.22 56.68 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 107.83 -14.39 37.95 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.511 1.132 . . . . 0.0 110.987 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.545 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 1.4 p90 -106.31 157.98 17.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 0.739 . . . . 0.0 110.991 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.46 167.98 16.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.412 ' CD1' HD13 ' A' ' 73' ' ' ILE . 23.0 mt -121.02 161.81 21.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -158.42 147.77 19.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.174 . . . . 0.0 110.282 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.481 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 98.49 -163.12 20.72 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.519 1.137 . . . . 0.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.46 179.95 16.84 Favored Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.95 -44.67 79.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 0.746 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.71 -14.84 63.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.095 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.441 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 6.0 m-85 -97.49 -24.85 15.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.441 ' CB ' ' O ' ' A' ' 27' ' ' PHE . 1.3 t-20 77.8 46.16 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.481 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 3.0 ptm -167.46 165.75 8.49 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 111.009 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 152.82 41.15 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.475 1.776 . . . . 0.0 110.993 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 mt -75.48 109.71 9.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.09 168.24 10.74 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 110.436 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.464 ' CG1' ' OD2' ' A' ' 51' ' ' ASP . 17.6 mm -78.34 102.99 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -47.76 -62.14 1.6 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 110.01 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.15 -173.93 4.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.991 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -156.53 158.73 37.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 62.1 tttt -95.11 147.22 23.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -51.74 117.69 2.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 50.15 41.22 38.18 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.52 -145.36 0.58 Allowed Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.15 -63.43 1.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.763 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -46.26 -42.31 14.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.4 t -62.26 -41.8 98.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.98 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -63.08 -24.81 68.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 110.27 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.76 7.88 31.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.112 . . . . 0.0 109.349 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 26.1 m-70 67.15 45.2 1.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 109.589 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 66.6 t -108.0 115.73 49.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.6 mtm180 -98.75 136.3 38.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 110.317 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 20.8 mm -41.09 141.39 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 109.349 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 109.39 -13.13 33.36 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.527 1.142 . . . . 0.0 111.045 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.464 ' OD2' ' CG1' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -53.96 141.96 26.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 0.787 . . . . 0.0 109.243 -179.945 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 73.2 t -108.69 118.0 55.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.473 ' CG1' HG13 ' A' ' 56' ' ' ILE . 28.8 t -72.79 103.97 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 87.7 mt -70.98 -39.19 72.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.4 ' OG ' ' HA ' ' A' ' 60' ' ' SER . 15.3 m -152.18 159.61 43.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.123 . . . . 0.0 110.027 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.473 HG13 ' CG1' ' A' ' 53' ' ' VAL . 17.8 mt -131.37 128.98 62.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 81' ' ' ASN . 34.8 t70 55.22 20.58 3.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 97.0 -3.29 62.16 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.535 1.147 . . . . 0.0 110.98 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.424 HG13 ' CE ' ' A' ' 72' ' ' LYS . 5.1 mm -89.77 125.37 42.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.516 0.774 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.4 ' HA ' ' OG ' ' A' ' 55' ' ' SER . 0.4 OUTLIER -66.51 121.27 14.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.997 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -89.54 42.86 1.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -81.86 -39.37 24.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.275 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -131.8 46.71 1.05 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.488 1.118 . . . . 0.0 110.969 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.5 mtm -119.14 144.76 46.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 111.028 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 73.2 p -95.01 159.56 14.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.368 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -42.84 -53.43 4.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.559 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 11.7 tp -48.91 -56.91 7.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -50.16 -64.19 0.89 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.294 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.08 -47.02 53.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -57.9 -42.65 85.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -53.45 -52.78 58.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.424 ' CE ' HG13 ' A' ' 59' ' ' ILE . 36.6 mmtt -52.28 -53.46 43.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.412 HD13 ' CD1' ' A' ' 21' ' ' LEU . 6.8 mt -53.68 -30.15 18.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.98 -24.81 35.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.279 -179.976 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.0 p . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.573 ' HB2' ' CH2' ' A' ' 17' ' ' TRP . 12.7 tp -122.51 133.87 54.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 109.279 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 57' ' ' ASP . 0.7 OUTLIER -128.11 105.28 8.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.286 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 27.0 mtm -137.68 164.33 29.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 111.051 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.6 m -107.6 150.7 26.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 110.38 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.409 ' CD2' ' OD1' ' A' ' 51' ' ' ASP . 11.5 mt -124.62 160.3 28.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.344 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -113.97 120.18 39.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.259 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.318 179.984 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.3 p -99.24 154.7 17.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.593 0.82 . . . . 0.0 109.992 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.433 ' CG2' ' N ' ' A' ' 10' ' ' SER . 0.5 OUTLIER -121.43 160.12 23.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.433 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 19.0 t -128.4 122.99 32.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.999 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 70.3 mt -115.14 144.15 44.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 75.3 t -114.49 106.86 21.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -174.8 156.64 23.18 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.509 1.131 . . . . 0.0 110.945 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.511 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -75.05 -5.57 16.93 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.496 1.787 . . . . 0.0 111.004 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.625 ' O ' ' CD1' ' A' ' 17' ' ' TRP . . . 161.72 -50.14 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.95 78.67 2.83 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.472 1.775 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.625 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 2.2 m95 -73.0 -24.26 60.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 108.028 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.469 ' CA ' ' HB3' ' A' ' 37' ' ' LYS . . . 105.66 27.76 5.63 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.49 1.119 . . . . 0.0 110.984 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.591 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 1.2 p90 -148.7 144.29 27.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 0.762 . . . . 0.0 110.986 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.416 ' CB ' ' OG ' ' A' ' 34' ' ' SER . 5.2 mmm180 -111.19 165.35 11.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.452 ' CD1' HD13 ' A' ' 73' ' ' ILE . 31.4 mt -126.21 157.68 37.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -158.07 153.17 25.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 110.302 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.486 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 98.17 -155.9 20.36 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.485 1.116 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 119.88 -176.65 16.22 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.6 ttpt -66.73 -49.49 65.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 0.742 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.03 -18.66 47.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -98.95 -18.81 17.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 111.03 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.9 t30 75.49 39.42 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.486 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 5.9 ptm -161.45 164.98 17.44 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.997 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 156.58 42.7 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.48 1.779 . . . . 0.0 110.995 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.6 mt -75.3 117.37 17.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.103 . . . . 0.0 109.276 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -124.52 167.34 14.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.432 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 26.0 mm -78.49 101.65 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.416 ' OG ' ' CB ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -46.24 -59.9 2.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.993 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.89 179.72 8.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.994 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.477 HD13 ' CA ' ' A' ' 43' ' ' SER . 0.4 OUTLIER -119.4 167.78 11.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.469 ' HB3' ' CA ' ' A' ' 18' ' ' GLY . 11.8 tttt -114.78 128.02 56.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -42.41 115.29 0.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.6 47.81 81.67 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -90.74 179.32 42.93 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.63 -56.84 4.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 0.762 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.44 ' CB ' ' HB3' ' A' ' 19' ' ' PHE . . . -41.58 -58.68 1.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.477 ' CA ' HD13 ' A' ' 36' ' ' LEU . 2.9 p -47.61 -48.41 28.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.158 . . . . 0.0 109.983 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -65.11 -22.17 66.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.249 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 42' ' ' ALA . . . -90.67 15.21 11.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.415 ' HA ' ' NH2' ' A' ' 48' ' ' ARG . 14.6 m-70 62.28 49.63 4.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.602 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 47.5 t -108.27 98.96 7.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.455 ' NH2' ' O ' ' A' ' 43' ' ' SER . 8.9 mmp_? -87.82 165.65 15.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.338 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 1.9 mt -72.8 129.43 35.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 111.68 -13.46 27.4 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.555 1.159 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -53.76 123.42 12.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.578 0.81 . . . . 0.0 109.281 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 81.9 t -90.1 127.64 42.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.479 ' CG1' HG13 ' A' ' 56' ' ' ILE . 38.6 t -82.46 105.87 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 37.7 mt -70.25 -47.89 59.36 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 0.0 109.341 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.408 ' OG ' ' HA ' ' A' ' 60' ' ' SER . 25.2 m -142.62 162.57 35.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.155 . . . . 0.0 109.992 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.479 HG13 ' CG1' ' A' ' 53' ' ' VAL . 35.1 mt -136.76 117.33 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.249 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 81' ' ' ASN . 18.6 t70 61.83 39.28 14.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 77.04 2.04 76.27 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.506 1.129 . . . . 0.0 110.982 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.469 HG13 ' CE ' ' A' ' 72' ' ' LYS . 2.9 mm -96.95 123.53 49.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.519 0.776 . . . . 0.0 109.264 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.408 ' HA ' ' OG ' ' A' ' 55' ' ' SER . 0.3 OUTLIER -66.1 123.99 21.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 110.001 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -88.19 44.58 1.21 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -99.21 67.23 1.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.334 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 136.35 -39.2 1.68 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.496 1.122 . . . . 0.0 110.978 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 13.1 mtm -43.93 137.48 3.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 0.75 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 68.0 p -83.1 168.38 16.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.341 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -49.01 -49.27 41.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.605 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.545 ' CD1' ' N ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -58.41 -49.52 76.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.545 ' N ' ' CD1' ' A' ' 67' ' ' LEU . 2.7 mt-10 -47.85 -56.98 6.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.6 -43.14 89.44 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -60.9 -40.45 93.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.432 ' ND2' HD21 ' A' ' 67' ' ' LEU . 1.4 m-20 -56.62 -49.19 75.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.469 ' CE ' HG13 ' A' ' 59' ' ' ILE . 36.2 mmtm -56.91 -52.12 66.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.452 HD13 ' CD1' ' A' ' 21' ' ' LEU . 5.6 mt -48.17 -49.99 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.344 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.09 -26.38 67.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 72' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.335 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.584 ' HB2' ' CH2' ' A' ' 17' ' ' TRP . 9.8 tp -98.05 145.78 26.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.217 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.408 ' O ' ' N ' ' A' ' 57' ' ' ASP . 0.6 OUTLIER -137.1 104.83 5.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.455 ' HE1' ' CZ ' ' A' ' 19' ' ' PHE . 27.3 mtm -135.47 146.37 48.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.1 m -91.82 144.26 25.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.435 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 62.5 mt -115.77 155.36 27.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -101.68 120.36 40.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 110.323 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 179.985 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 54.2 p -105.65 157.52 17.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 0.754 . . . . 0.0 110.006 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.465 ' CG2' ' N ' ' A' ' 10' ' ' SER . 1.6 p -144.11 164.06 14.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.465 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 33.9 t -137.34 126.01 23.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.028 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 12.5 mt -111.31 154.38 24.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.277 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 69.5 t -118.46 107.59 22.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.165 . . . . 0.0 109.302 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -175.3 154.89 19.09 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.477 1.111 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.523 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.96 -6.43 18.07 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.474 1.776 . . . . 0.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.596 ' O ' ' CD1' ' A' ' 17' ' ' TRP . . . 161.94 -49.87 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.0 76.16 3.48 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.503 1.791 . . . . 0.0 110.996 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.597 ' CH2' ' HB2' ' A' ' 80' ' ' LEU . 2.9 m95 -69.73 -24.82 63.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 108.016 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.476 ' CA ' ' HB3' ' A' ' 37' ' ' LYS . . . 104.84 30.1 4.99 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.443 1.089 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.584 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 1.6 p90 -148.98 155.76 41.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 0.754 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -119.96 164.1 16.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.295 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.427 ' CD1' HD13 ' A' ' 73' ' ' ILE . 77.9 mt -128.69 152.69 48.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -156.25 148.38 23.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 110.251 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.478 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 103.46 -158.52 17.28 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 121.34 -173.35 15.58 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.15 -54.62 19.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 0.773 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -57.67 -18.8 22.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -96.83 -15.03 21.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 35.6 t-20 72.25 36.37 1.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.478 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 4.2 ptm -160.89 165.25 17.59 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.09 . . . . 0.0 110.982 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 155.56 42.95 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.519 1.799 . . . . 0.0 110.982 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.0 mt -75.29 110.85 9.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 109.268 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -118.84 166.89 12.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 110.398 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 26.2 mm -78.24 105.11 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.26 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.5 -61.52 1.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.023 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -154.8 175.75 13.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.008 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.482 HD13 ' CA ' ' A' ' 43' ' ' SER . 0.3 OUTLIER -115.16 158.47 22.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.476 ' HB3' ' CA ' ' A' ' 18' ' ' GLY . 3.0 tttt -101.91 137.8 39.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -46.1 117.4 1.53 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 46.18 48.31 15.25 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -86.29 -174.71 49.61 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -73.86 -58.42 3.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 0.0 109.324 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 45' ' ' ALA . . . -39.51 -56.66 1.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.482 ' CA ' HD13 ' A' ' 36' ' ' LEU . 70.1 p -47.59 -48.33 28.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.0 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -63.57 -21.43 66.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.277 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 42' ' ' ALA . . . -88.79 13.45 12.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.267 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 11.7 m-70 60.84 37.79 18.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.596 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 43.1 t -95.15 112.69 28.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.351 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.403 ' O ' ' OD1' ' A' ' 51' ' ' ASP . 5.0 mtm180 -101.31 157.76 16.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.32 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 2.2 mt -63.2 131.41 28.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.27 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 113.4 -14.89 22.78 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.481 1.113 . . . . 0.0 110.974 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 48' ' ' ARG . 23.4 m-20 -54.45 123.58 13.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 0.802 . . . . 0.0 109.359 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 91.1 t -92.76 130.88 41.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.491 ' CG1' HG13 ' A' ' 56' ' ' ILE . 45.3 t -82.43 110.56 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 78.2 mt -76.78 -47.74 20.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.6 m -143.52 165.14 28.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.006 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.491 HG13 ' CG1' ' A' ' 53' ' ' VAL . 15.7 mt -142.96 131.48 20.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 26.1 t0 54.63 27.83 9.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 85.79 3.31 85.98 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.489 1.118 . . . . 0.0 111.035 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.412 ' O ' ' N ' ' A' ' 56' ' ' ILE . 3.7 mm -97.98 125.51 51.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 0.775 . . . . 0.0 109.258 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.5 t -66.77 125.42 25.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.008 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -87.51 44.66 1.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.273 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -103.3 41.27 1.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 155.39 44.13 0.02 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.47 1.106 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 31.4 mtm -133.86 139.99 46.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 0.785 . . . . 0.0 110.934 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 17.3 p -86.26 170.33 12.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.387 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.503 ' O ' ' CG ' ' A' ' 70' ' ' GLN . 3.1 t-160 -49.51 -44.92 46.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.581 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.546 ' CD1' ' N ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -58.34 -51.54 69.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.568 1.168 . . . . 0.0 109.283 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.546 ' N ' ' CD1' ' A' ' 67' ' ' LEU . 1.3 mt-10 -47.74 -64.72 0.71 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.125 . . . . 0.0 110.254 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -48.74 -50.1 35.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.503 ' CG ' ' O ' ' A' ' 66' ' ' HIS . 6.2 mm-40 -55.57 -44.54 76.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.278 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.421 ' ND2' HD22 ' A' ' 67' ' ' LEU . 1.8 m-20 -53.53 -51.15 63.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.266 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 75' ' ' ALA . 28.8 mmtt -55.78 -58.63 7.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.565 1.166 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.427 HD13 ' CD1' ' A' ' 21' ' ' LEU . 4.2 mt -50.13 -43.38 21.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.348 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.2 mtpt -65.93 -26.39 67.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 72' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.3 p . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.597 ' HB2' ' CH2' ' A' ' 17' ' ' TRP . 8.4 tp -120.58 116.81 26.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -109.6 105.11 14.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 24.8 mtm -139.1 149.86 45.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 111.018 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.7 m -100.13 145.19 28.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.423 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 59.4 mt -115.26 160.7 19.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.239 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -105.55 122.28 45.69 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.493 1.121 . . . . 0.0 110.26 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.277 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.8 p -106.46 152.08 24.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 0.765 . . . . 0.0 109.996 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.405 ' CG2' ' N ' ' A' ' 10' ' ' SER . 0.4 OUTLIER -120.8 158.17 23.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.405 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 40.2 t -126.95 124.01 38.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.939 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 30.9 mt -115.53 149.15 38.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 75.4 t -117.54 106.55 20.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -173.92 154.71 20.25 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.494 1.121 . . . . 0.0 110.986 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.518 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.5 Cg_endo -74.98 -5.63 17.05 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.447 1.761 . . . . 0.0 111.048 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.636 ' O ' ' CD1' ' A' ' 17' ' ' TRP . . . 161.47 -49.93 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.544 ' CD ' ' N ' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.05 78.21 2.96 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.501 1.79 . . . . 0.0 110.961 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.636 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 2.5 m95 -72.94 -23.58 60.7 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.463 ' O ' ' N ' ' A' ' 37' ' ' LYS . . . 106.13 28.15 5.35 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.572 ' CD2' ' HB2' ' A' ' 17' ' ' TRP . 2.3 p90 -150.17 152.07 34.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 0.743 . . . . 0.0 111.032 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.462 ' CB ' ' HB3' ' A' ' 34' ' ' SER . 0.0 OUTLIER -116.55 163.64 15.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.577 1.173 . . . . 0.0 110.289 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.459 ' CD2' HD11 ' A' ' 33' ' ' ILE . 15.8 mt -123.18 149.58 44.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -150.59 152.54 34.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.319 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.482 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 96.1 -163.64 23.32 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.527 1.142 . . . . 0.0 111.033 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 128.81 174.59 13.77 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.9 ttpt -61.86 -29.29 70.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 0.784 . . . . 0.0 109.327 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -80.01 -20.19 46.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -99.93 0.43 41.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 110.999 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.2 m-20 61.35 39.3 15.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.482 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 7.0 ptm -162.81 163.5 17.57 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 111.016 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 158.45 42.53 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.492 1.786 . . . . 0.0 111.06 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.6 mt -75.75 113.42 13.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -123.23 168.62 12.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.391 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.459 HD11 ' CD2' ' A' ' 21' ' ' LEU . 34.2 mm -78.51 102.09 4.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.462 ' HB3' ' CB ' ' A' ' 20' ' ' ARG . 23.1 t -49.46 -64.43 0.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.994 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -145.17 173.87 11.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 0.0 109.966 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.494 HD13 ' CA ' ' A' ' 43' ' ' SER . 0.2 OUTLIER -123.18 152.86 40.79 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 18' ' ' GLY . 14.3 tttt -95.84 134.57 38.65 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.77 126.28 15.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 41.66 53.56 4.37 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -100.54 -173.68 29.61 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -71.77 -57.48 4.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 0.739 . . . . 0.0 109.329 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 45' ' ' ALA . . . -39.83 -64.59 0.47 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.494 ' CA ' HD13 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -47.49 -46.67 27.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.954 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -59.89 -24.91 64.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 110.27 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 42' ' ' ALA . . . -86.53 8.81 20.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.254 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.448 ' O ' ' NH1' ' A' ' 48' ' ' ARG . 19.6 m-70 65.51 45.14 2.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.566 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 87.8 t -105.62 108.24 24.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.448 ' NH1' ' O ' ' A' ' 46' ' ' HIS . 0.1 OUTLIER -95.19 157.52 15.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 110.307 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 2.5 mt -62.41 135.09 27.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 107.47 -11.41 39.35 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.497 1.123 . . . . 0.0 110.975 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -59.02 128.92 39.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 0.752 . . . . 0.0 109.273 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 83.5 t -94.5 138.3 21.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.455 HG13 ' CG1' ' A' ' 56' ' ' ILE . 28.5 t -91.34 102.53 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 26.4 mt -68.39 -41.74 80.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.8 p -140.57 168.54 19.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.015 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.455 ' CG1' HG13 ' A' ' 53' ' ' VAL . 35.5 mt -142.09 129.03 19.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 81' ' ' ASN . 8.3 t0 53.95 21.85 3.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 87.04 16.6 60.76 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.538 1.149 . . . . 0.0 111.012 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.409 HG21 ' N ' ' A' ' 60' ' ' SER . 1.3 mt -114.8 152.93 16.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 0.78 . . . . 0.0 109.339 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.409 ' N ' HG21 ' A' ' 59' ' ' ILE . 0.4 OUTLIER -70.63 123.48 21.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 110.013 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -93.83 22.31 5.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -88.72 94.57 9.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 122.32 -51.5 0.79 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.462 1.101 . . . . 0.0 111.006 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 33.2 mtm -41.82 133.47 2.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 0.764 . . . . 0.0 110.964 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.9 p -80.16 169.71 17.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.382 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.447 ' NE2' ' C ' ' A' ' 21' ' ' LEU . 3.8 t-160 -45.96 -59.22 2.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.614 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.549 ' CD1' ' N ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -47.21 -54.39 10.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 109.357 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.549 ' N ' ' CD1' ' A' ' 67' ' ' LEU . 1.4 mt-10 -47.69 -58.7 3.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.32 -41.0 62.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -67.73 -37.82 82.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.281 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 67' ' ' LEU . 1.2 m-20 -59.13 -49.82 76.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 26.0 mmmt -58.17 -52.98 63.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.432 HD12 ' CD1' ' A' ' 21' ' ' LEU . 7.7 mt -55.57 -35.97 40.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.251 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -65.06 -46.92 79.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.259 179.982 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.9 p . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.583 ' HB2' ' CH2' ' A' ' 17' ' ' TRP . 15.0 tp -118.84 131.14 56.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.451 ' O ' ' N ' ' A' ' 57' ' ' ASP . 0.7 OUTLIER -126.65 104.86 8.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.439 ' HE1' ' CD2' ' A' ' 80' ' ' LEU . 25.9 mtm -141.43 151.49 43.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.955 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.9 m -97.71 146.29 25.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.418 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 42.0 mt -116.58 164.48 14.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -116.55 127.41 54.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.358 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.324 179.995 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.2 p -88.57 152.29 21.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 0.746 . . . . 0.0 109.976 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.473 ' CG2' ' N ' ' A' ' 10' ' ' SER . 1.5 p -126.66 164.62 26.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.351 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.473 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 46.8 t -134.23 123.85 24.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.963 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 17.1 mt -113.25 150.46 32.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.33 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.0 p -117.78 106.8 20.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.555 1.159 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -175.16 154.82 19.11 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.451 1.094 . . . . 0.0 111.015 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.52 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.99 -5.71 17.15 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.544 1.813 . . . . 0.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.62 ' O ' ' CD1' ' A' ' 17' ' ' TRP . . . 161.69 -50.19 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.537 ' CD ' ' N ' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.01 76.46 3.4 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.454 1.765 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.62 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 2.5 m95 -70.5 -24.52 62.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 108.009 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 104.62 29.65 5.23 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.551 1.157 . . . . 0.0 110.97 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.575 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 1.3 p90 -150.86 145.41 25.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 0.773 . . . . 0.0 110.962 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.9 mtm180 -110.13 169.97 8.38 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.431 1.082 . . . . 0.0 110.264 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.467 ' CD2' HD12 ' A' ' 33' ' ' ILE . 48.3 mt -131.23 148.09 52.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -146.42 142.21 27.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.329 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.475 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 106.49 -163.81 13.53 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.517 1.136 . . . . 0.0 111.016 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 134.41 -171.05 22.4 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.96 -48.3 54.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 0.769 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.462 ' OD1' ' N ' ' A' ' 26' ' ' ASP . 4.5 p-10 -65.11 -22.41 66.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.427 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 7.4 m-85 -87.0 -21.62 26.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.427 ' CB ' ' O ' ' A' ' 27' ' ' PHE . 2.7 t30 77.3 28.42 0.61 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.475 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 3.5 ptm -151.91 165.01 18.38 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.541 1.15 . . . . 0.0 111.013 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 153.69 42.29 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.501 1.79 . . . . 0.0 110.98 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.1 mt -75.62 106.38 7.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.67 169.02 9.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 110.412 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.467 HD12 ' CD2' ' A' ' 21' ' ' LEU . 48.6 mm -78.35 100.56 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -47.41 -62.02 1.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.989 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.19 175.11 12.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.997 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.506 HD11 ' CA ' ' A' ' 43' ' ' SER . 0.2 OUTLIER -120.65 167.83 12.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -113.7 139.03 49.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -52.33 120.09 5.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 43.96 52.95 6.63 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.515 1.135 . . . . 0.0 110.982 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -103.89 163.57 15.27 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.88 -57.14 3.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 0.764 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.472 ' CB ' ' HB3' ' A' ' 19' ' ' PHE . . . -43.25 -67.3 0.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.506 ' CA ' HD11 ' A' ' 36' ' ' LEU . 26.8 p -47.55 -48.04 27.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 110.027 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -58.3 -23.73 57.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.099 . . . . 0.0 110.329 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 42' ' ' ALA . . . -95.14 26.46 3.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.575 1.172 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.416 ' HA ' ' NH2' ' A' ' 48' ' ' ARG . 20.7 m-70 48.31 52.03 14.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.635 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 60.1 t -107.31 98.16 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.416 ' NH2' ' HA ' ' A' ' 46' ' ' HIS . 9.0 mmp_? -86.78 166.06 15.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.115 . . . . 0.0 110.279 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.1 mt -76.92 133.84 30.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 114.86 -13.52 19.95 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.526 1.141 . . . . 0.0 110.998 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.432 ' OD2' ' CG1' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -56.55 149.14 17.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 0.792 . . . . 0.0 109.312 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.43 ' N ' ' OD1' ' A' ' 51' ' ' ASP . 71.6 t -117.66 115.03 47.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.501 ' CG1' ' O ' ' A' ' 55' ' ' SER . 87.8 t -71.57 100.32 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 82.7 mt -68.29 -40.64 81.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.35 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.501 ' O ' ' CG1' ' A' ' 53' ' ' VAL . 31.9 p -134.28 168.63 18.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.964 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.451 HG13 ' CG1' ' A' ' 53' ' ' VAL . 46.3 mt -142.32 99.21 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 109.249 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 81' ' ' ASN . 29.3 t0 65.13 46.53 2.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.9 18.66 74.56 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.561 1.163 . . . . 0.0 110.973 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.6 mm -114.94 142.83 26.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.525 0.779 . . . . 0.0 109.343 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.08 117.75 14.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.115 . . . . 0.0 110.014 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -94.59 31.61 1.75 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -83.61 -57.66 3.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.314 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -105.93 55.31 0.55 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.537 1.148 . . . . 0.0 110.978 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 16.8 mtm -133.05 136.49 45.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 0.747 . . . . 0.0 110.951 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 34.3 p -84.28 160.26 20.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 110.407 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.408 ' CE1' ' O ' ' A' ' 21' ' ' LEU . 3.5 t-160 -44.91 -53.5 7.52 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 109.599 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 15.3 tp -52.89 -59.64 4.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 0.0 109.338 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -47.47 -59.71 3.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.283 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.0 -48.97 61.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.259 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -56.19 -44.45 79.43 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.562 1.163 . . . . 0.0 110.28 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -49.54 -54.39 18.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.1 mmtm -51.61 -58.16 7.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.586 1.179 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.465 HD11 ' CD1' ' A' ' 21' ' ' LEU . 7.1 mt -47.69 -40.68 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.1 mttp -63.92 -40.8 97.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 0.0 109.274 179.981 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.0 p . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.578 ' HB2' ' CH2' ' A' ' 17' ' ' TRP . 11.9 tp -111.62 124.73 52.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.407 ' O ' ' N ' ' A' ' 57' ' ' ASP . 0.8 OUTLIER -119.54 104.84 10.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.34 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 40.2 mtm -138.33 148.38 44.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.2 m -94.74 147.19 23.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.437 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.8 mt -118.0 163.8 16.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -115.82 142.89 46.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.6 p -92.27 159.86 15.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 0.781 . . . . 0.0 110.018 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -121.58 165.65 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 45.5 t -138.45 114.57 10.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.977 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 39.1 mt -110.82 150.32 29.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 72.3 t -118.09 106.97 20.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.346 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -175.4 156.19 21.64 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.558 1.161 . . . . 0.0 110.99 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.519 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.95 -5.81 17.28 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.488 1.783 . . . . 0.0 111.011 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.614 ' O ' ' CD1' ' A' ' 17' ' ' TRP . . . 161.67 -50.04 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -75.02 77.18 3.2 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.503 1.791 . . . . 0.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.614 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 2.3 m95 -71.08 -24.96 62.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 108.022 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.439 ' CA ' ' HB3' ' A' ' 37' ' ' LYS . . . 106.36 28.43 5.18 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.491 1.119 . . . . 0.0 111.031 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.59 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 1.1 p90 -147.91 148.23 30.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.441 0.73 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -113.0 170.98 7.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.133 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.458 ' CD1' HD12 ' A' ' 73' ' ' ILE . 78.8 mt -130.37 155.21 46.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -154.27 151.96 29.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.257 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.498 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 94.61 -157.48 22.4 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.487 1.117 . . . . 0.0 111.015 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 125.51 -170.45 17.41 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.5 mtmt -72.38 -49.27 35.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 0.79 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -64.46 -17.31 63.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -95.25 -15.68 23.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 0.0 111.001 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 70.82 41.46 0.87 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.256 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.498 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 3.5 ptm -164.36 165.75 12.52 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.107 . . . . 0.0 111.024 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 154.55 42.42 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.497 1.788 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.6 mt -75.19 116.14 15.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -123.76 166.24 15.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.387 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.467 HG21 ' CD2' ' A' ' 36' ' ' LEU . 19.7 mm -78.46 103.87 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.15 -63.43 1.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 110.01 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -150.63 176.32 11.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.0 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.467 ' CD2' HG21 ' A' ' 33' ' ' ILE . 0.5 OUTLIER -124.01 163.09 22.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.312 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.439 ' HB3' ' CA ' ' A' ' 18' ' ' GLY . 18.3 tttt -111.38 141.58 44.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -55.75 123.24 13.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 52.04 50.99 42.97 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -102.79 159.03 17.65 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.82 -52.89 36.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 0.785 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.455 ' CB ' ' HB3' ' A' ' 19' ' ' PHE . . . -46.68 -64.58 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.418 ' N ' HD12 ' A' ' 36' ' ' LEU . 1.7 t -47.84 -47.64 31.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.009 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -61.68 -22.14 65.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.276 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 42' ' ' ALA . . . -92.85 21.2 5.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.426 ' HA ' ' NH2' ' A' ' 48' ' ' ARG . 12.8 m-70 54.31 50.35 16.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.62 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 39.8 t -108.27 98.63 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.426 ' NH2' ' HA ' ' A' ' 46' ' ' HIS . 8.9 mmp_? -87.72 165.59 15.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 22.6 mm -71.57 138.85 20.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.63 -14.11 56.43 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.45 1.094 . . . . 0.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -53.79 127.77 27.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 0.766 . . . . 0.0 109.26 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 73.9 t -94.96 125.63 47.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.464 ' CG1' HG13 ' A' ' 56' ' ' ILE . 26.9 t -83.47 114.08 23.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 22.6 mt -80.44 -34.03 36.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.408 ' OG ' ' OG1' ' A' ' 83' ' ' THR . 6.3 p -145.9 163.44 35.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 110.034 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.476 HG22 ' CB ' ' A' ' 72' ' ' LYS . 19.1 mt -140.48 99.14 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 81' ' ' ASN . 2.8 t0 72.76 43.65 0.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.68 13.95 69.33 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.515 1.134 . . . . 0.0 110.95 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.464 HG13 ' CE ' ' A' ' 72' ' ' LYS . 2.7 mm -109.27 143.26 19.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.451 0.736 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.89 119.64 16.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 110.031 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -94.82 25.7 3.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -84.74 -59.52 2.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.253 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -98.68 48.82 1.33 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.497 1.123 . . . . 0.0 110.953 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 19.2 mtm -132.96 139.4 47.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 0.785 . . . . 0.0 111.041 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.0 p -77.61 171.57 14.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.397 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -57.5 -56.76 17.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.607 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.554 ' CD1' ' N ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -49.82 -49.0 50.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.342 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.554 ' N ' ' CD1' ' A' ' 67' ' ' LEU . 51.3 mm-40 -49.09 -65.14 0.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.332 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -46.17 -40.68 11.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -67.55 -38.77 84.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 110.317 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.413 ' ND2' HD22 ' A' ' 67' ' ' LEU . 1.3 m-20 -58.7 -48.24 81.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.267 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.476 ' CB ' HG22 ' A' ' 56' ' ' ILE . 29.4 mmtm -54.48 -48.3 71.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.458 HD12 ' CD1' ' A' ' 21' ' ' LEU . 6.6 mt -50.48 -47.97 26.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.5 -23.89 66.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.359 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.408 ' CB ' ' O ' ' A' ' 72' ' ' LYS . . . . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.582 ' HB2' ' CH2' ' A' ' 17' ' ' TRP . 11.1 tp -108.8 144.82 36.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.427 ' O ' ' N ' ' A' ' 57' ' ' ASP . 0.6 OUTLIER -135.3 104.9 6.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 21.3 mtm -136.36 155.48 50.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 111.029 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.408 ' OG1' ' OG ' ' A' ' 55' ' ' SER . 2.1 m -103.77 142.75 33.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.426 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 43.3 mt -114.74 152.52 31.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -95.08 118.6 32.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.258 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.279 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.7 m -90.48 169.21 11.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 0.752 . . . . 0.0 110.017 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.462 ' CG2' ' N ' ' A' ' 10' ' ' SER . 1.7 p -142.58 165.22 16.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.462 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 36.8 t -136.06 129.37 31.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.962 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 30.0 mt -116.22 147.24 41.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.2 p -118.61 106.39 19.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.265 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -174.62 156.38 22.88 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.477 1.111 . . . . 0.0 111.015 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.519 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.1 Cg_endo -74.99 -4.45 15.43 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.475 1.776 . . . . 0.0 110.99 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.565 ' O ' ' CD1' ' A' ' 17' ' ' TRP . . . 161.78 -50.07 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.55 ' CD ' ' N ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.94 78.51 2.86 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.463 1.77 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.588 ' CZ2' ' HB2' ' A' ' 80' ' ' LEU . 2.8 m95 -71.5 -25.7 62.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 108.013 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.473 ' CA ' ' HB3' ' A' ' 37' ' ' LYS . . . 103.57 30.87 5.1 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.524 1.14 . . . . 0.0 110.99 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.61 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 0.7 OUTLIER -150.2 141.97 23.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 0.779 . . . . 0.0 110.984 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.58 171.0 7.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.414 ' C ' ' NE2' ' A' ' 66' ' ' HIS . 40.6 mt -131.54 157.13 44.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -160.67 142.67 12.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.475 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 107.01 -156.76 15.87 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.532 1.145 . . . . 0.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 119.34 -162.44 13.69 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.2 ttmm -76.04 -49.45 17.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 0.762 . . . . 0.0 109.332 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -60.33 -20.33 58.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -100.98 -6.33 24.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 59.92 47.34 10.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.475 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 3.5 ptm -165.97 165.57 10.57 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 110.992 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 154.64 42.61 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.525 1.803 . . . . 0.0 110.996 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.7 mt -74.99 115.44 14.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -122.91 167.25 13.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.373 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 50.3 mm -78.38 103.63 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.16 . . . . 0.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -47.62 -54.41 11.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.001 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -159.89 175.95 12.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.997 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.481 HD11 ' CA ' ' A' ' 43' ' ' SER . 0.3 OUTLIER -117.3 167.91 10.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.26 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.473 ' HB3' ' CA ' ' A' ' 18' ' ' GLY . 35.3 tttt -117.32 129.78 56.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -41.85 127.58 3.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 38.72 56.4 2.07 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -104.86 160.45 15.38 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.12 -52.35 26.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 0.742 . . . . 0.0 109.286 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.477 ' CB ' ' HB3' ' A' ' 19' ' ' PHE . . . -45.71 -66.43 0.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.481 ' CA ' HD11 ' A' ' 36' ' ' LEU . 12.7 t -47.44 -46.54 26.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.021 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -55.39 -25.45 35.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.323 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 42' ' ' ALA . . . -88.04 11.24 16.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 13.4 m170 64.4 37.98 7.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.577 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 97.3 t -93.16 114.75 30.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.1 mtm180 -99.43 163.93 12.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 110.337 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.3 mt -69.61 135.91 27.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 105.54 -12.5 47.05 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.535 1.147 . . . . 0.0 110.966 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -55.17 131.43 45.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 0.754 . . . . 0.0 109.286 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 79.1 t -97.74 125.79 50.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.478 ' CG1' ' O ' ' A' ' 55' ' ' SER . 71.8 t -80.48 106.38 11.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 54.8 mt -72.38 -38.3 68.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.082 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.478 ' O ' ' CG1' ' A' ' 53' ' ' VAL . 9.4 p -141.29 170.9 14.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.999 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.459 ' CG1' HG12 ' A' ' 53' ' ' VAL . 90.3 mt -144.45 94.17 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.095 . . . . 0.0 109.338 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 75.26 42.06 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 72.89 9.31 75.29 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.3 mm -102.05 141.45 18.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 0.75 . . . . 0.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.02 119.48 14.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.027 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -93.99 24.86 3.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -90.94 82.7 5.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.339 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 131.12 -46.36 1.08 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.522 1.139 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 44.3 mtm -47.03 123.36 5.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 0.753 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 66' ' ' HIS . 16.1 p -76.23 171.36 14.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 110.387 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.414 ' NE2' ' C ' ' A' ' 21' ' ' LEU . 2.4 t-160 -39.95 -59.29 1.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.621 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.526 ' CD1' ' N ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -48.68 -61.5 2.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.526 ' N ' ' CD1' ' A' ' 67' ' ' LEU . 2.5 mt-10 -42.19 -53.5 4.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.118 . . . . 0.0 110.279 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.1 -47.28 85.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.441 1.088 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -58.91 -43.57 91.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.271 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.413 ' ND2' ' CD2' ' A' ' 67' ' ' LEU . 1.5 m-20 -57.15 -46.81 82.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.506 ' O ' ' CB ' ' A' ' 75' ' ' ALA . 14.5 mmmt -53.79 -56.6 16.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.0 mt -46.12 -53.49 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.25 -32.52 16.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.506 ' CB ' ' O ' ' A' ' 72' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.1 p . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.588 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 13.7 tp -117.47 128.17 54.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -122.18 105.14 9.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.509 ' SD ' ' CD2' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -128.11 165.69 19.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.401 ' OG1' ' OG ' ' A' ' 55' ' ' SER . 4.2 m -114.45 146.95 40.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.394 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 39.1 mt -116.38 163.48 15.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -110.82 123.68 50.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.314 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.332 179.979 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.3 t -99.55 161.69 13.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 0.741 . . . . 0.0 109.964 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.459 ' CG2' ' N ' ' A' ' 10' ' ' SER . 2.4 p -129.73 166.34 27.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.459 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 42.8 t -138.24 119.06 14.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.997 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 20.7 mt -108.68 149.41 29.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.6 p -116.65 106.21 19.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 109.269 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -176.68 155.59 18.9 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.524 1.14 . . . . 0.0 111.021 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.524 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -74.97 -6.0 17.51 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.524 1.802 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.625 ' O ' ' CD1' ' A' ' 17' ' ' TRP . . . 161.37 -49.71 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.96 76.63 3.33 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.491 1.785 . . . . 0.0 111.008 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.625 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 2.6 m95 -70.86 -24.36 62.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 107.986 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.02 24.75 7.09 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.44 1.088 . . . . 0.0 111.026 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.589 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 1.0 OUTLIER -144.76 153.07 41.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 0.745 . . . . 0.0 111.03 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -117.67 175.62 5.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.264 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.413 ' O ' ' CE1' ' A' ' 66' ' ' HIS . 50.5 mt -136.53 147.51 47.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.408 ' NE2' ' HA ' ' A' ' 34' ' ' SER . 20.7 pt20 -143.5 148.64 36.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.247 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.479 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 105.64 -161.34 14.58 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 28' ' ' ASN . . . 127.36 166.31 12.08 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.64 -42.29 64.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 0.784 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -64.48 -31.46 72.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.313 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -86.72 -17.73 32.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 111.0 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 24' ' ' GLY . 4.9 t-20 73.12 42.48 0.44 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.479 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 4.1 ptm -161.29 164.77 18.01 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 156.37 42.95 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.517 1.799 . . . . 0.0 111.013 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 mt -75.38 111.05 10.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -117.51 168.73 10.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.397 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.404 HG22 ' CD2' ' A' ' 36' ' ' LEU . 19.7 mm -78.41 102.26 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.244 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.408 ' HA ' ' NE2' ' A' ' 22' ' ' GLN . 0.4 OUTLIER -50.47 -59.99 3.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.992 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -151.82 176.68 11.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 110.017 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.404 ' CD2' HG22 ' A' ' 33' ' ' ILE . 0.2 OUTLIER -133.87 147.89 51.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 109.344 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.93 133.3 35.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -44.43 119.01 1.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 58.79 43.4 96.54 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.525 1.14 . . . . 0.0 110.965 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -91.17 159.05 26.1 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 45' ' ' ALA . 0.1 OUTLIER -46.69 -64.84 0.67 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 0.776 . . . . 0.0 109.271 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -42.9 -49.34 5.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.319 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.5 t -55.59 -39.92 71.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.994 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 41' ' ' LYS . 0.5 OUTLIER -82.67 -14.26 54.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.261 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 41' ' ' LYS . . . -88.13 12.91 12.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 29.4 m-70 66.6 34.08 6.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.589 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 96.2 t -96.65 110.33 24.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.7 mtm180 -101.53 133.86 45.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.325 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.1 mt -42.16 134.61 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 108.14 -15.05 36.69 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.48 1.113 . . . . 0.0 110.993 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -56.81 127.77 33.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.769 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 72.5 t -93.24 133.18 35.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.409 HG11 ' CG1' ' A' ' 56' ' ' ILE . 22.6 t -86.01 102.21 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.092 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 41.5 mt -69.23 -41.22 77.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.2 p -139.22 166.35 24.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 110.003 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.445 ' CG2' ' HB3' ' A' ' 72' ' ' LYS . 74.2 mt -140.44 109.9 3.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 81' ' ' ASN . 1.1 t70 62.38 35.56 14.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 0.0 109.299 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 79.28 15.19 80.6 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.444 1.09 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.4 mm -108.97 139.52 31.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.476 0.75 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.04 124.12 22.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.979 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -97.87 29.11 3.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.341 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.88 43.44 1.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 110.28 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 157.53 44.67 0.02 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.482 1.113 . . . . 0.0 110.981 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 23.1 mtm -133.63 133.55 42.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 0.781 . . . . 0.0 111.034 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 55.5 p -79.41 161.02 26.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 110.394 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.413 ' CE1' ' O ' ' A' ' 21' ' ' LEU . 1.8 t-160 -46.96 -58.61 3.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.586 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 11.0 tp -46.72 -53.97 10.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.337 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -55.83 -58.4 8.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.283 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.9 -48.55 60.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.165 . . . . 0.0 109.319 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -55.91 -43.99 77.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.274 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.72 -50.41 72.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 75' ' ' ALA . 22.4 mmtm -46.58 -59.29 3.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 3.0 mt -42.85 -50.32 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.449 1.093 . . . . 0.0 109.353 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.09 -41.64 48.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 72' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.3 p . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.579 ' HB2' ' CH2' ' A' ' 17' ' ' TRP . 10.0 tp -105.87 137.87 43.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 57' ' ' ASP . 0.6 OUTLIER -129.91 104.64 7.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 33.5 mtm -140.71 147.09 38.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.157 . . . . 0.0 111.009 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.0 m -93.95 149.62 21.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.403 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 48.1 mt -117.63 163.38 16.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -112.39 150.58 30.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.9 p -101.95 141.49 34.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 0.772 . . . . 0.0 109.987 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -155.93 160.09 39.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.01 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.55 97.79 0.17 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.522 1.139 . . . . 0.0 110.97 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.74 154.74 41.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 0.754 . . . . 0.0 110.012 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.5 p -43.75 161.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.989 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.37 140.68 3.12 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.56 1.163 . . . . 0.0 110.984 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 43.8 t -93.57 162.92 13.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 0.742 . . . . 0.0 110.017 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.455 ' CG2' ' N ' ' A' ' 10' ' ' SER . 0.8 OUTLIER -138.5 162.66 29.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.455 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 39.4 t -131.94 136.42 47.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.017 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.482 ' HB2' ' CE3' ' A' ' 17' ' ' TRP . 7.0 mt -120.3 153.38 36.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.4 p -117.56 106.61 20.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -178.05 153.56 13.31 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.462 1.101 . . . . 0.0 110.981 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.523 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.1 Cg_endo -75.01 -6.19 17.73 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.491 1.785 . . . . 0.0 110.997 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.619 ' O ' ' CD1' ' A' ' 17' ' ' TRP . . . 161.94 -50.36 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.525 ' CD ' ' N ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.01 77.41 3.14 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.538 1.81 . . . . 0.0 110.975 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.619 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 1.8 m95 -71.02 -24.04 62.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 108.021 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.58 -16.07 24.16 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.522 1.138 . . . . 0.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.521 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 1.2 p90 -105.28 156.81 17.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 0.779 . . . . 0.0 111.01 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.8 mmt180 -122.29 174.09 7.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.293 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.2 mt -122.64 145.92 47.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -146.1 136.88 24.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.486 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 106.61 -158.32 15.37 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.526 1.141 . . . . 0.0 110.999 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 124.99 174.81 14.06 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.1 -44.43 96.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 0.742 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -63.75 -22.96 67.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.464 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 11.2 m-85 -92.73 -20.29 20.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.998 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.464 ' CB ' ' O ' ' A' ' 27' ' ' PHE . 9.6 t-20 80.46 33.12 0.16 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.486 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 4.1 ptm -156.4 164.76 20.39 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 111.004 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 156.78 42.9 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.499 1.789 . . . . 0.0 110.983 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.4 mt -75.25 115.75 15.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -123.88 170.44 10.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 110.399 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 21.2 mm -78.58 100.92 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.5 t -53.16 -67.15 0.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.015 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -145.09 177.59 8.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.992 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.467 ' CD1' ' HB2' ' A' ' 42' ' ' ALA . 0.3 OUTLIER -148.28 161.17 42.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.2 tttp -95.71 159.51 14.95 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -55.01 119.67 5.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 40.47 53.59 3.49 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.501 1.126 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -89.25 175.2 42.65 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.9 -64.03 0.79 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 0.752 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.467 ' HB2' ' CD1' ' A' ' 36' ' ' LEU . . . -45.29 -46.38 12.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 18.3 t -62.85 -41.04 99.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.975 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -64.06 -22.27 66.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 110.293 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -93.77 10.78 31.63 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 9.8 m170 62.01 51.44 3.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.436 1.085 . . . . 0.0 109.589 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 76.7 t -105.77 117.95 52.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 -102.43 157.86 16.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.305 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 2.2 mt -65.21 130.21 30.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 116.41 -15.85 14.92 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.543 1.152 . . . . 0.0 110.953 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -57.99 129.13 40.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 0.773 . . . . 0.0 109.271 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 71.1 t -95.62 131.54 42.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.447 ' CG1' HG13 ' A' ' 56' ' ' ILE . 37.1 t -85.62 107.71 16.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 52.8 mt -74.17 -31.77 62.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.437 ' O ' ' CG1' ' A' ' 53' ' ' VAL . 1.8 p -146.03 158.6 43.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.039 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.447 HG13 ' CG1' ' A' ' 53' ' ' VAL . 11.5 mt -133.91 106.15 8.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.165 . . . . 0.0 109.297 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 81' ' ' ASN . 24.4 t0 68.04 37.01 3.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.122 . . . . 0.0 109.344 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 80.61 -2.12 79.91 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.545 1.153 . . . . 0.0 111.058 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.5 mm -94.72 152.43 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.518 0.775 . . . . 0.0 109.346 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.36 121.64 25.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.999 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -98.81 36.52 1.66 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -87.68 -51.49 5.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.335 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -109.03 47.84 1.0 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.552 1.157 . . . . 0.0 110.978 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 14.0 mtm -128.46 130.94 48.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 0.766 . . . . 0.0 111.001 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.3 p -73.63 171.38 13.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 110.409 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -53.69 -53.38 52.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.647 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.549 ' CD1' ' N ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -53.08 -48.02 68.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.549 ' N ' ' CD1' ' A' ' 67' ' ' LEU . 0.9 OUTLIER -49.81 -68.37 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 110.291 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.417 ' CB ' ' CD1' ' A' ' 56' ' ' ILE . . . -45.33 -38.36 5.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -68.15 -37.79 81.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 110.322 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 68' ' ' GLU . 1.7 m-20 -59.9 -48.26 82.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 35.3 mmtt -58.96 -53.57 56.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.239 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 17.1 mt -48.86 -44.01 14.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.118 . . . . 0.0 109.286 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -63.22 -33.99 76.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.82 -44.22 97.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.495 ' CB ' HD11 ' A' ' 80' ' ' LEU . 1.7 m -69.49 128.54 36.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 108.325 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 41.7 p -120.05 -41.53 2.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.38 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -73.37 -68.87 1.49 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.534 1.146 . . . . 0.0 110.994 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.6 p -137.79 162.15 34.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 0.773 . . . . 0.0 109.977 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.583 ' HB2' ' CH2' ' A' ' 17' ' ' TRP . 8.9 tp -113.41 118.94 35.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 57' ' ' ASP . 1.3 m-80 -110.04 104.89 13.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 33.7 mtm -134.73 159.6 40.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 111.017 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.405 ' OG1' ' OG ' ' A' ' 55' ' ' SER . 4.8 m -109.9 147.48 33.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 110.428 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 40.0 mt -113.43 166.17 11.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.086 . . . . 0.0 109.362 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -114.2 131.45 56.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.295 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.5 152.83 35.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.345 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -147.5 106.93 3.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.3 m 41.63 -162.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.02 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -81.97 138.94 34.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.147 . . . . 0.0 109.343 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -108.74 72.86 0.84 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.424 1.077 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -168.2 132.46 1.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.66 144.31 50.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -128.43 127.38 42.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.01 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -99.36 118.66 61.98 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 143.48 29.03 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.516 1.798 . . . . 0.0 111.036 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.6 p -84.6 146.56 6.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.128 . . . . 0.0 109.276 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.8 m -119.42 147.28 44.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.954 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -158.31 159.07 35.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 110.031 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -131.78 157.09 22.23 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.504 1.127 . . . . 0.0 110.989 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 177.15 8.98 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.523 1.802 . . . . 0.0 110.97 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -121.14 149.03 43.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.958 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 48.5 p -83.68 145.36 28.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 110.024 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.454 1.096 . . . . 0.0 111.003 -179.967 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.35 161.13 25.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 0.764 . . . . 0.0 110.009 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.77 99.81 7.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.032 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.92 -119.52 1.95 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.15 -69.03 0.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 0.795 . . . . 0.0 110.0 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 p 54.13 170.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.995 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.1 146.76 4.4 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.541 1.151 . . . . 0.0 110.979 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 82.9 p -93.76 166.74 12.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 0.774 . . . . 0.0 109.993 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.411 ' CG2' ' N ' ' A' ' 10' ' ' SER . 0.5 OUTLIER -143.67 159.31 16.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.411 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 48.2 t -134.26 124.03 25.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 110.001 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 52.5 mt -110.52 148.96 31.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.9 p -115.75 106.57 20.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -174.99 156.59 22.88 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.529 1.143 . . . . 0.0 110.981 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.507 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -75.0 -6.03 17.55 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.463 1.77 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.624 ' O ' ' CD1' ' A' ' 17' ' ' TRP . . . 162.14 -50.38 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.545 ' CD ' ' N ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.99 78.35 2.91 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.519 1.8 . . . . 0.0 111.035 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.624 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 1.8 m95 -72.38 -25.05 61.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 107.989 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.47 ' CA ' ' HB3' ' A' ' 37' ' ' LYS . . . 106.85 27.28 5.48 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.596 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 0.9 OUTLIER -147.67 150.48 34.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 110.959 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.402 ' CB ' ' OG ' ' A' ' 34' ' ' SER . 5.2 mtt180 -116.91 171.72 7.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.309 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.461 ' CD1' HD12 ' A' ' 73' ' ' ILE . 80.8 mt -130.19 153.75 48.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.553 1.158 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -154.56 144.05 21.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.28 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.473 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 107.2 -160.27 14.22 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.52 1.138 . . . . 0.0 110.951 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 127.49 -179.37 16.47 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.9 ttpp -70.77 -27.57 64.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 0.768 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -76.0 -24.33 55.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.437 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 9.8 m-85 -97.43 -17.61 19.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.972 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.437 ' CB ' ' O ' ' A' ' 27' ' ' PHE . 2.4 t-20 77.12 44.57 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.473 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 4.1 ptm -162.9 164.48 16.22 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 111.043 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 156.64 43.03 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.45 1.763 . . . . 0.0 111.035 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 mt -75.5 110.25 9.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -116.23 168.01 10.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.393 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 24.8 mm -78.56 99.25 2.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.417 ' HB3' ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -43.95 -56.51 3.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 109.99 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.08 177.12 11.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 110.069 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.501 HD13 ' CA ' ' A' ' 43' ' ' SER . 0.2 OUTLIER -121.67 167.72 12.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.25 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.47 ' HB3' ' CA ' ' A' ' 18' ' ' GLY . 8.7 tttp -116.01 137.76 51.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.13 126.13 13.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 42.0 56.64 3.78 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.536 1.147 . . . . 0.0 111.009 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -105.95 161.61 14.32 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.52 -48.8 56.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 0.785 . . . . 0.0 109.35 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.466 ' CB ' ' HB3' ' A' ' 19' ' ' PHE . . . -48.99 -65.46 0.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.501 ' CA ' HD13 ' A' ' 36' ' ' LEU . 14.2 p -47.04 -47.21 22.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.008 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -55.45 -27.28 47.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 110.299 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 42' ' ' ALA . . . -87.48 11.05 15.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 63.78 43.18 5.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.571 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 61.1 t -96.57 113.93 32.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.3 mtm180 -102.59 164.42 11.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.2 mt -70.69 134.56 29.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.333 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 108.15 -17.09 35.11 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -54.43 127.72 28.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 0.768 . . . . 0.0 109.335 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 73.3 t -94.7 132.97 37.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.573 1.171 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.47 HG11 ' CG1' ' A' ' 56' ' ' ILE . 47.1 t -87.82 108.16 18.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.253 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 20.4 mt -73.79 -36.44 65.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.449 ' O ' ' CG1' ' A' ' 53' ' ' VAL . 4.8 p -143.85 167.89 21.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.025 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.477 HG23 ' CB ' ' A' ' 72' ' ' LYS . 54.4 mt -143.06 96.27 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 81' ' ' ASN . 11.1 t0 71.31 44.51 0.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 73.75 1.93 59.77 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.451 1.094 . . . . 0.0 111.002 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.464 HG13 ' CE ' ' A' ' 72' ' ' LYS . 16.8 mm -92.87 140.44 16.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 0.756 . . . . 0.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.27 117.34 14.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.992 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -92.67 31.13 1.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -93.5 92.11 7.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 110.278 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 92.54 39.09 5.4 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -110.06 136.04 49.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 0.764 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.1 p -75.65 156.65 34.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.413 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.449 ' CE1' ' O ' ' A' ' 21' ' ' LEU . 2.0 t-160 -50.13 -51.66 41.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.619 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.4 tp -50.97 -53.14 35.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -49.22 -70.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 110.315 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -43.32 -49.71 6.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.274 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -54.44 -44.97 72.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 110.293 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -53.58 -47.0 70.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.097 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.477 ' CB ' HG23 ' A' ' 56' ' ' ILE . 40.0 mmtm -56.55 -44.95 81.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.461 HD12 ' CD1' ' A' ' 21' ' ' LEU . 4.8 mt -59.56 -29.21 41.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.1 mttp -79.23 -15.38 58.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -94.47 14.14 21.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.325 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.413 ' SG ' ' O ' ' A' ' 76' ' ' CYS . 27.2 p -67.37 95.52 0.45 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.451 1.094 . . . . 0.0 108.321 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.408 HG23 ' N ' ' A' ' 78' ' ' GLY . 6.8 t -52.74 -25.39 11.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.387 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.408 ' N ' HG23 ' A' ' 77' ' ' THR . . . -172.63 -58.07 0.05 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.0 p -110.17 164.75 12.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 0.742 . . . . 0.0 110.064 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.586 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 11.0 tp -116.03 116.37 27.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.098 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.406 ' O ' ' N ' ' A' ' 57' ' ' ASP . 1.2 m-80 -109.9 104.71 13.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 41.2 mtm -133.32 162.18 32.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.8 m -112.57 146.22 38.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.43 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 28.7 mt -113.37 166.91 11.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.427 ' HG2' ' N ' ' A' ' 86' ' ' ARG . 0.3 OUTLIER -116.22 139.64 50.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 110.266 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.427 ' N ' ' HG2' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -76.42 150.47 36.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 110.276 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -125.41 104.2 8.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.3 t -115.15 154.39 29.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.017 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . 63.0 69.07 0.6 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -152.06 73.57 1.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.277 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -152.64 113.38 4.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.51 -14.66 60.01 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 94.0 p -115.92 136.78 52.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.998 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -105.78 149.95 38.58 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 105.36 2.07 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.474 1.776 . . . . 0.0 110.97 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 76.7 t -93.82 124.72 46.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 63.4 m -75.57 157.84 33.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.05 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.0 t -158.62 112.82 2.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.984 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -47.93 104.86 0.09 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.549 1.156 . . . . 0.0 111.023 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 177.43 8.6 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.478 1.778 . . . . 0.0 110.967 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.02 151.98 40.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.03 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 87.4 p -105.24 149.32 26.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.023 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 -179.995 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 69.37 85.29 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 0.763 . . . . 0.0 110.035 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.7 p -170.08 124.29 0.74 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.028 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.86 162.21 34.96 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.466 1.103 . . . . 0.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.7 t -173.62 -59.22 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 0.801 . . . . 0.0 109.984 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.1 t 62.37 167.02 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.99 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.87 131.77 2.39 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.0 m -90.29 156.35 18.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 0.765 . . . . 0.0 109.977 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.479 ' CG2' ' N ' ' A' ' 10' ' ' SER . 1.7 p -130.85 165.63 30.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.479 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 46.5 t -138.03 122.41 18.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.997 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 32.1 mt -111.27 150.29 29.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 76.7 t -117.31 106.86 20.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -175.3 154.83 18.94 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.507 1.13 . . . . 0.0 110.996 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.528 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.0 Cg_endo -75.08 -5.27 16.55 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.464 1.771 . . . . 0.0 110.974 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.606 ' O ' ' CD1' ' A' ' 17' ' ' TRP . . . 161.52 -50.19 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.537 ' CD ' ' N ' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -74.99 76.88 3.27 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.52 1.8 . . . . 0.0 110.961 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.606 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 2.7 m95 -70.59 -24.83 62.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 108.018 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.446 ' CA ' ' HB3' ' A' ' 37' ' ' LYS . . . 103.93 30.15 5.25 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.512 1.132 . . . . 0.0 111.002 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.58 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 1.2 p90 -151.69 149.76 29.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 0.756 . . . . 0.0 111.048 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.4 mmt85 -112.09 175.37 5.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.516 ' O ' ' CE1' ' A' ' 66' ' ' HIS . 64.3 mt -137.38 145.25 43.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.0 pt20 -146.01 150.91 36.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.331 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.473 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 101.61 -159.86 18.29 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 122.34 -175.97 16.44 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.69 -44.68 89.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 0.782 . . . . 0.0 109.351 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -63.82 -24.31 67.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -96.33 -3.58 43.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.4 m120 61.81 36.08 16.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.324 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.473 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 3.6 ptm -157.0 164.17 22.6 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 156.53 43.28 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.454 1.765 . . . . 0.0 111.038 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 mt -75.32 114.99 14.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -123.24 168.4 12.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 110.439 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.482 HD12 ' CD2' ' A' ' 21' ' ' LEU . 50.1 mm -78.16 98.49 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.7 t -48.49 -62.37 1.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.994 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -145.59 173.66 11.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.997 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.5 HD12 ' CA ' ' A' ' 43' ' ' SER . 0.4 OUTLIER -121.28 168.35 11.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 109.263 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.446 ' HB3' ' CA ' ' A' ' 18' ' ' GLY . 13.9 tttp -116.65 137.66 52.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.36 125.13 13.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 43.88 53.69 6.25 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.565 1.165 . . . . 0.0 110.993 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -104.89 153.7 17.36 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -42.92 -57.27 2.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 0.78 . . . . 0.0 109.258 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.48 ' CB ' ' HB3' ' A' ' 19' ' ' PHE . . . -42.42 -68.01 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.346 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.5 ' CA ' HD12 ' A' ' 36' ' ' LEU . 1.9 t -47.94 -48.65 31.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.0 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -61.48 -20.86 63.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.323 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 42' ' ' ALA . . . -94.2 20.76 7.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.418 ' HA ' ' NH2' ' A' ' 48' ' ' ARG . 21.7 m-70 58.35 50.66 9.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.102 . . . . 0.0 109.556 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 36.3 t -108.41 99.18 8.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.457 ' NH2' ' O ' ' A' ' 43' ' ' SER . 8.9 mmp_? -89.73 166.85 13.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.305 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.2 mt -75.23 134.85 28.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 106.1 -14.47 44.33 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.458 1.099 . . . . 0.0 110.99 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -56.21 123.99 16.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 0.771 . . . . 0.0 109.274 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 79.7 t -90.29 135.17 27.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.276 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.471 HG11 ' CG1' ' A' ' 56' ' ' ILE . 67.6 t -89.22 99.81 9.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 23.4 mt -62.82 -47.09 84.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.8 p -137.31 173.79 11.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.019 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.471 ' CG1' HG11 ' A' ' 53' ' ' VAL . 91.8 mt -144.76 85.93 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 81' ' ' ASN . 11.8 t0 74.06 56.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.336 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 63.86 11.41 43.66 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.477 1.111 . . . . 0.0 111.026 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.404 HG21 ' CE ' ' A' ' 64' ' ' MET . 3.4 mm -107.7 136.68 42.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 0.761 . . . . 0.0 109.26 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.39 127.48 32.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.019 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -103.24 25.91 8.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.345 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -83.06 -48.48 10.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.324 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -109.67 48.57 0.92 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.526 1.141 . . . . 0.0 111.016 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.404 ' CE ' HG21 ' A' ' 59' ' ' ILE . 10.9 mtm -130.97 134.99 47.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 0.749 . . . . 0.0 111.0 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 74.5 p -84.23 164.98 18.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.394 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.516 ' CE1' ' O ' ' A' ' 21' ' ' LEU . 2.0 t-160 -45.75 -52.05 11.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.638 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 21.3 tp -56.15 -52.98 62.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.137 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -50.59 -56.72 10.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.01 -49.11 76.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -56.11 -43.86 78.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 110.264 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -51.2 -52.86 40.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.432 ' CB ' HG22 ' A' ' 56' ' ' ILE . 0.8 OUTLIER -50.21 -62.1 1.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.467 HD13 ' CD1' ' A' ' 21' ' ' LEU . 4.2 mt -46.12 -52.61 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt -50.44 -37.57 38.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.21 -38.51 90.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 109.327 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 88.2 m -60.23 105.48 0.42 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 108.266 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 7.0 t -115.24 91.31 3.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 110.395 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 134.11 -58.91 0.68 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 p -137.68 156.31 48.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 0.777 . . . . 0.0 110.039 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.582 ' HB2' ' CH2' ' A' ' 17' ' ' TRP . 23.3 tp -116.16 142.54 46.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 57' ' ' ASP . 0.6 OUTLIER -135.62 107.31 6.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.41 ' HE1' ' CD2' ' A' ' 80' ' ' LEU . 46.5 mtm -146.08 148.28 32.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.42 1.075 . . . . 0.0 111.039 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.1 m -95.67 147.18 23.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.447 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 53.3 mt -115.89 165.68 12.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 109.35 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -115.28 125.84 53.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.271 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -76.51 123.89 26.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 110.329 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -133.83 76.68 1.67 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.341 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.01 83.27 2.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 109.991 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -164.44 144.72 7.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.31 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -171.58 68.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.258 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -138.69 179.57 6.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 18.0 mmmt -108.17 167.89 9.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.58 1.175 . . . . 0.0 109.339 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.0 m -110.31 112.74 24.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.065 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -80.35 151.03 71.78 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 110.245 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 105.75 2.14 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.514 1.797 . . . . 0.0 110.977 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 68.1 t -78.91 117.92 25.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -109.1 127.33 54.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.02 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.7 t -48.36 106.87 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.99 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -123.66 -151.83 8.31 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.473 1.108 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 58.43 4.87 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.468 1.773 . . . . 0.0 111.016 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.94 112.47 25.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.967 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.67 110.52 21.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 110.009 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.507 1.129 . . . . 0.0 110.957 -179.977 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 t -120.96 121.75 38.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 0.741 . . . . 0.0 109.953 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.9 m -67.64 157.67 33.96 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 110.029 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.44 -124.31 1.91 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.549 1.155 . . . . 0.0 110.979 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.402 ' O ' ' NH1' ' A' ' 86' ' ' ARG . 2.1 m -118.97 -57.7 2.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 0.764 . . . . 0.0 110.02 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.19 -89.6 0.43 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.969 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.12 126.34 1.3 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.501 1.125 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.3 p -96.09 154.56 17.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 0.792 . . . . 0.0 109.981 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.47 ' CG2' ' N ' ' A' ' 10' ' ' SER . 0.7 OUTLIER -122.47 162.78 21.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.47 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 47.6 t -132.94 116.03 15.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.014 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.407 ' HB2' ' CE3' ' A' ' 17' ' ' TRP . 12.1 mt -104.34 149.59 25.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.142 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.5 p -117.17 107.13 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -175.35 155.85 21.02 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.539 1.149 . . . . 0.0 110.984 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.521 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.01 -6.28 17.86 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.512 1.796 . . . . 0.0 110.986 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.618 ' O ' ' CD1' ' A' ' 17' ' ' TRP . . . 162.07 -50.29 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.534 ' CD ' ' N ' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.99 76.22 3.46 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.566 1.824 . . . . 0.0 111.05 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.618 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 2.3 m95 -69.87 -25.38 63.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 108.06 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.473 ' CA ' ' HB3' ' A' ' 37' ' ' LYS . . . 106.08 27.96 5.43 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.596 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 1.1 p90 -147.93 145.32 28.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 0.793 . . . . 0.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.9 mmt180 -108.64 173.23 6.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.318 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.452 ' CD1' HD11 ' A' ' 73' ' ' ILE . 94.4 mt -131.41 157.17 44.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -157.66 149.69 22.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.467 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 99.74 -159.68 19.64 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 125.06 -168.24 17.2 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.75 -54.41 11.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 0.755 . . . . 0.0 109.324 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -59.53 -17.58 33.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -96.51 -16.03 21.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 67.65 41.44 2.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.467 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 3.8 ptm -161.86 165.14 16.68 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 156.65 42.8 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.505 1.792 . . . . 0.0 110.992 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.7 mt -75.16 117.54 17.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -125.84 167.76 14.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.403 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.421 HD12 ' CD2' ' A' ' 21' ' ' LEU . 37.6 mm -78.68 103.77 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.416 ' HB3' ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -47.65 -59.45 3.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.963 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.97 176.45 12.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.085 . . . . 0.0 110.05 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.52 HD11 ' CA ' ' A' ' 43' ' ' SER . 0.2 OUTLIER -120.45 153.0 37.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.473 ' HB3' ' CA ' ' A' ' 18' ' ' GLY . 0.0 OUTLIER -100.52 138.72 37.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -48.64 123.73 7.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 41.7 55.63 3.87 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.464 1.102 . . . . 0.0 111.04 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -103.37 163.04 15.7 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.67 -52.59 13.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 0.789 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.474 ' CB ' ' HB3' ' A' ' 19' ' ' PHE . . . -46.77 -64.0 0.88 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.52 ' CA ' HD11 ' A' ' 36' ' ' LEU . 83.3 p -47.26 -48.3 24.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.983 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -56.98 -24.07 50.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 110.286 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 42' ' ' ALA . . . -91.5 18.9 6.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 53.03 38.96 28.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.6 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 23.0 t -90.47 115.6 30.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 5.2 mtm180 -99.35 155.05 17.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 28.4 mm -63.57 141.53 18.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.137 . . . . 0.0 109.323 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 101.79 -13.14 57.87 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.506 1.129 . . . . 0.0 111.045 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -55.96 126.85 27.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 0.786 . . . . 0.0 109.277 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 71.1 t -93.96 133.59 34.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.474 HG13 ' CG1' ' A' ' 56' ' ' ILE . 64.4 t -87.44 103.8 13.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 61.7 mt -70.84 -40.97 72.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.322 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.474 ' O ' ' CG1' ' A' ' 53' ' ' VAL . 12.7 p -135.85 170.31 16.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.987 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.474 ' CG1' HG13 ' A' ' 53' ' ' VAL . 63.5 mt -145.36 120.62 3.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 81' ' ' ASN . 43.1 t0 59.3 27.54 16.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 83.13 7.86 86.35 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.495 1.122 . . . . 0.0 110.961 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.416 HG21 ' N ' ' A' ' 60' ' ' SER . 1.2 mt -106.01 154.82 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 0.789 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.416 ' N ' HG21 ' A' ' 59' ' ' ILE . 1.8 t -68.83 123.82 22.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 110.003 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -106.58 34.05 3.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -99.83 81.16 2.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.326 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 135.54 -47.3 0.99 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.518 1.136 . . . . 0.0 111.037 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 30.8 mtm -39.58 127.96 1.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 0.747 . . . . 0.0 111.003 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 69.3 p -71.88 171.17 12.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.414 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -52.2 -59.78 3.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.556 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.9 tp -49.72 -54.95 15.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.25 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -50.28 -59.06 4.33 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 0.0 110.255 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.66 -51.28 57.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.26 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -53.48 -44.64 69.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -50.8 -53.29 33.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.5 mmmm -51.25 -62.1 1.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.452 HD11 ' CD1' ' A' ' 21' ' ' LEU . 4.2 mt -47.36 -39.95 6.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.08 -42.7 91.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.85 -31.18 62.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.262 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 79' ' ' SER . 1.6 m -75.19 103.52 5.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 108.323 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.3 p -106.33 -1.3 23.52 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 0.0 110.382 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -120.16 -72.1 0.34 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.518 1.137 . . . . 0.0 110.975 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.4 ' O ' ' SG ' ' A' ' 76' ' ' CYS . 1.9 p -126.8 162.36 26.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 0.761 . . . . 0.0 109.985 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.58 ' HB2' ' CH2' ' A' ' 17' ' ' TRP . 10.8 tp -122.08 119.04 30.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' A' ' 57' ' ' ASP . 1.2 m-80 -114.08 105.06 12.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.431 1.082 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.448 ' HE2' ' CD2' ' A' ' 80' ' ' LEU . 39.0 mtm -139.29 155.76 47.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 110.976 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.401 ' OG1' ' OG ' ' A' ' 55' ' ' SER . 16.6 m -102.7 150.67 23.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.427 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 58.4 mt -119.93 161.94 20.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -110.56 119.74 40.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 110.275 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.402 ' NH1' ' O ' ' A' ' 5' ' ' SER . 0.0 OUTLIER -77.55 150.64 34.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 110.304 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -106.57 84.93 2.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.105 . . . . 0.0 109.3 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.2 t -76.83 88.52 3.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.989 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -169.7 78.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.88 114.77 6.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -112.52 156.99 21.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.06 97.09 0.66 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 109.346 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 38.1 p -125.73 155.98 40.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.988 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -117.14 137.04 23.55 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.266 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 141.61 26.67 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.533 1.807 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 65.9 t -111.99 138.25 41.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 81.5 p -106.72 136.92 45.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.021 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -169.74 126.41 0.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 109.968 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -113.78 97.32 0.84 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.501 1.126 . . . . 0.0 110.97 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 91.24 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.507 1.793 . . . . 0.0 110.994 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -119.26 126.87 52.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.83 148.18 49.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.001 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.48 1.112 . . . . 0.0 111.038 179.99 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.9 p -161.01 112.59 1.84 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 0.75 . . . . 0.0 109.996 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.96 162.57 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.98 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.7 -142.14 6.19 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 p -122.66 115.5 22.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 0.0 110.038 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.4 p -177.25 171.28 2.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.982 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.49 145.85 4.42 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.4 p -101.48 152.92 20.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 0.78 . . . . 0.0 110.028 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.474 ' CG2' ' N ' ' A' ' 10' ' ' SER . 1.7 p -122.41 165.26 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.474 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 41.6 t -131.25 124.89 31.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.004 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 15.9 mt -111.95 148.82 32.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.1 p -116.5 106.43 20.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -177.38 154.19 15.09 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.525 1.14 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.523 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.0 -5.5 16.87 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.522 1.801 . . . . 0.0 110.951 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.614 ' O ' ' CD1' ' A' ' 17' ' ' TRP . . . 161.51 -50.05 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.418 1.074 . . . . 0.0 109.355 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.533 ' CD ' ' N ' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -75.0 77.72 3.06 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.524 1.802 . . . . 0.0 111.01 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.614 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 2.5 m95 -71.72 -24.22 61.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 108.002 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 108.7 -6.86 33.5 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.497 1.123 . . . . 0.0 111.028 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.583 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 1.4 p90 -109.37 151.6 26.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 0.794 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.457 ' CB ' ' HB3' ' A' ' 34' ' ' SER . 0.0 OUTLIER -115.19 175.4 5.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.329 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.449 ' CD1' HD12 ' A' ' 73' ' ' ILE . 90.2 mt -137.38 147.33 45.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 22.0 pt20 -146.63 147.28 30.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.311 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.486 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 103.66 -164.95 15.38 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.519 1.137 . . . . 0.0 110.989 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 135.81 179.24 16.41 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.4 ttpt -66.67 -42.46 86.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 0.774 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -69.72 -17.46 63.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.496 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 11.3 m-85 -93.99 -25.76 17.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.496 ' CB ' ' O ' ' A' ' 27' ' ' PHE . 2.9 t-20 81.61 37.65 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.107 . . . . 0.0 109.277 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.486 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 5.4 ptm -159.82 164.02 21.24 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 156.99 42.78 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.492 1.785 . . . . 0.0 110.986 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 mt -75.65 108.04 8.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.271 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -114.29 167.55 10.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.376 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.42 ' CG1' ' HB2' ' A' ' 51' ' ' ASP . 49.2 mm -78.55 98.67 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.257 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.457 ' HB3' ' CB ' ' A' ' 20' ' ' ARG . 1.0 OUTLIER -44.36 -57.46 3.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.977 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.44 ' HA ' ' CD1' ' A' ' 49' ' ' ILE . 0.6 OUTLIER -158.46 179.33 9.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.992 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -127.45 167.85 15.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -115.1 135.0 54.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.096 . . . . 0.0 109.329 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.7 p-10 -40.94 117.81 0.9 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 109.265 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 51.47 43.17 52.11 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.479 1.112 . . . . 0.0 110.951 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 37' ' ' LYS . . . -84.86 158.82 33.79 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.19 -67.38 0.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 0.746 . . . . 0.0 109.343 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -40.42 -56.95 1.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 14.3 t -52.32 -46.01 65.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.011 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -59.27 -22.5 61.25 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.455 ' CB ' HG23 ' A' ' 9' ' ' VAL . . . -93.21 13.63 20.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 65.54 44.36 3.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.615 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 93.6 t -100.51 113.03 35.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.3 mtm180 -101.24 160.71 14.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.44 ' CD1' ' HA ' ' A' ' 35' ' ' SER . 5.9 mt -64.97 141.76 17.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.426 ' N ' HG21 ' A' ' 49' ' ' ILE . . . 103.45 -17.45 50.67 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.474 1.109 . . . . 0.0 110.989 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.42 ' HB2' ' CG1' ' A' ' 33' ' ' ILE . 37.8 m-20 -53.85 127.39 25.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 0.786 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 76.9 t -91.04 130.0 40.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.349 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.459 HG13 ' CG1' ' A' ' 56' ' ' ILE . 48.3 t -85.25 101.44 9.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 34.8 mt -66.96 -40.81 87.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.3 p -139.41 165.99 25.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.993 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.467 HG22 ' CB ' ' A' ' 72' ' ' LYS . 30.7 mt -138.77 93.53 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 81' ' ' ASN . 6.0 t0 74.66 46.5 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.262 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.7 9.31 61.98 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.445 1.091 . . . . 0.0 110.962 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.7 mm -107.48 142.77 19.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.556 0.798 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.97 123.47 22.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.088 . . . . 0.0 109.959 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -95.75 26.57 3.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -91.18 82.95 5.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.268 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 127.48 -47.8 1.0 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.534 1.146 . . . . 0.0 111.034 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 22.2 mtm -39.0 124.46 1.43 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 0.779 . . . . 0.0 111.016 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.4 p -70.65 164.97 23.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.388 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -48.31 -57.57 5.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.601 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.0 tp -48.86 -57.12 6.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -51.64 -59.78 3.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -48.76 -46.22 40.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -62.82 -34.54 77.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.6 -50.94 71.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.467 ' CB ' HG22 ' A' ' 56' ' ' ILE . 10.0 mmtt -51.02 -48.55 61.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.449 HD12 ' CD1' ' A' ' 21' ' ' LEU . 5.3 mt -47.51 -42.3 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -65.18 -33.55 76.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 72' ' ' LYS . . . -57.13 -23.39 46.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.403 ' C ' ' O ' ' A' ' 75' ' ' ALA . 14.0 p -41.84 145.48 0.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 108.273 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.407 ' O ' ' CG2' ' A' ' 77' ' ' THR . 13.6 t -131.89 50.56 2.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.132 . . . . 0.0 110.421 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 131.64 -56.95 0.73 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.525 1.141 . . . . 0.0 110.982 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.7 p -132.67 162.9 30.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 0.746 . . . . 0.0 110.011 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.593 ' HB2' ' CH2' ' A' ' 17' ' ' TRP . 11.2 tp -111.08 142.03 43.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.439 ' O ' ' N ' ' A' ' 57' ' ' ASP . 0.5 OUTLIER -131.03 104.67 7.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.472 ' HE2' ' CZ ' ' A' ' 19' ' ' PHE . 29.0 mtm -139.54 137.17 35.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.8 m -83.34 147.93 27.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.386 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 53.3 mt -118.02 162.23 18.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.423 ' HG2' ' N ' ' A' ' 86' ' ' ARG . 0.2 OUTLIER -117.41 143.89 45.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.423 ' N ' ' HG2' ' A' ' 85' ' ' GLN . 2.0 mpt_? -84.17 118.26 24.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 110.291 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -102.9 75.26 1.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 94.7 p -81.03 163.46 23.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.99 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -103.51 156.27 17.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -89.17 139.11 30.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 62.28 118.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.28 145.31 56.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 85.7 p -90.74 121.56 32.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.1 . . . . 0.0 110.076 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -97.65 150.5 36.85 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.333 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 126.14 9.77 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.49 1.784 . . . . 0.0 110.962 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.4 HG21 ' N ' ' A' ' 97' ' ' SER . 12.3 p -117.74 153.25 19.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.244 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.4 ' N ' HG21 ' A' ' 96' ' ' VAL . 67.2 p -90.84 116.8 28.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.005 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.4 153.39 30.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 110.025 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 140.38 -154.68 24.23 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 90.2 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.514 1.797 . . . . 0.0 111.0 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 22.8 m -80.22 102.64 9.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.017 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 39.9 t -91.93 116.73 29.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.995 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.498 1.124 . . . . 0.0 111.0 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.2 m 69.36 -69.94 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 0.771 . . . . 0.0 109.994 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.4 p -103.06 119.44 38.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.001 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.433 ' CA ' ' HG3' ' A' ' 86' ' ' ARG . . . 141.97 100.98 0.41 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.473 1.108 . . . . 0.0 111.022 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.7 t -146.26 130.03 17.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 0.737 . . . . 0.0 110.056 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.5 p -50.71 173.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.972 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.66 139.17 2.84 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.8 p -100.16 148.33 24.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 0.786 . . . . 0.0 109.958 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.468 ' CG2' ' N ' ' A' ' 10' ' ' SER . 1.5 p -117.31 164.52 13.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.468 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 26.3 t -135.67 126.3 27.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.005 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 18.9 mt -112.27 151.35 29.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.108 . . . . 0.0 109.314 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.445 ' O ' ' CD ' ' A' ' 41' ' ' LYS . 7.4 p -117.04 106.44 20.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -177.04 156.59 20.72 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.493 1.121 . . . . 0.0 111.031 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.523 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.01 -6.01 17.51 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.546 1.814 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.613 ' O ' ' CD1' ' A' ' 17' ' ' TRP . . . 161.89 -50.22 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.53 ' CD ' ' N ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.01 78.11 2.98 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.482 1.78 . . . . 0.0 111.026 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.613 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 1.8 m95 -72.17 -23.5 61.29 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 113.63 -18.37 20.03 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.564 1.165 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.539 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 1.1 p90 -105.15 158.62 16.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 0.788 . . . . 0.0 110.999 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -126.44 171.12 11.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.407 ' N ' ' HB3' ' A' ' 34' ' ' SER . 59.6 mt -117.07 160.99 20.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -154.0 146.74 24.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 110.258 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.475 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 97.36 -160.01 21.24 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.497 1.123 . . . . 0.0 111.053 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 28' ' ' ASN . . . 130.25 172.66 13.19 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.7 ttpt -62.03 -47.11 86.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 0.77 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -64.51 -19.81 65.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.493 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 6.1 m-85 -93.98 -28.69 15.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.981 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' A' ' 27' ' ' PHE . 2.1 t-20 81.03 56.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.475 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 3.6 ptm -176.13 166.54 1.66 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 111.013 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 152.97 41.51 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.492 1.785 . . . . 0.0 110.99 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 mt -74.65 115.42 14.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -124.46 173.19 8.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.377 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 25.3 mm -78.64 111.42 15.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.407 ' HB3' ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -58.75 -59.91 4.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.99 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.58 -176.96 6.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.979 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.455 ' CD2' ' HB2' ' A' ' 42' ' ' ALA . 0.4 OUTLIER -150.49 159.56 44.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -95.54 145.46 25.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -47.52 112.18 0.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 50.64 44.54 47.43 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.51 1.131 . . . . 0.0 110.976 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.83 -149.72 0.59 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.445 ' CD ' ' O ' ' A' ' 12' ' ' VAL . 1.1 mttp -86.98 -42.2 13.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 109.321 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.455 ' HB2' ' CD2' ' A' ' 36' ' ' LEU . . . -62.44 -41.54 98.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 32.0 t -57.97 -43.13 86.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.026 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -67.62 -23.38 65.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 110.294 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -89.26 13.72 12.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.439 ' O ' ' NH1' ' A' ' 48' ' ' ARG . 8.8 m-70 59.2 45.89 13.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.634 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 96.2 t -107.15 122.52 61.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.439 ' NH1' ' O ' ' A' ' 46' ' ' HIS . 0.0 OUTLIER -109.65 162.63 14.24 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 110.304 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.1 mt -70.48 134.23 30.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 111.79 -14.04 26.95 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.539 1.15 . . . . 0.0 111.019 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -60.09 129.44 41.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 0.76 . . . . 0.0 109.252 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 79.8 t -94.01 128.4 45.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.447 HG13 ' CG1' ' A' ' 56' ' ' ILE . 40.8 t -82.7 104.33 11.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 60.0 mt -70.75 -36.22 73.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.4 p -144.06 163.44 33.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.009 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.447 ' CG1' HG13 ' A' ' 53' ' ' VAL . 48.0 mt -136.58 90.49 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.576 1.173 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 18.7 t0 71.64 49.76 0.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.28 10.17 62.15 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.571 1.169 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 9.3 mm -105.54 133.66 49.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 0.77 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.39 121.49 16.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.992 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -91.75 21.89 4.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.335 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -89.35 101.24 13.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 106.89 -41.55 2.16 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 21.2 mtm -45.79 132.38 8.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 0.742 . . . . 0.0 110.982 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.9 p -74.73 171.44 13.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.123 . . . . 0.0 110.413 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -54.59 -56.93 13.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.582 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.554 ' CD1' ' N ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -48.42 -50.79 29.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.554 ' N ' ' CD1' ' A' ' 67' ' ' LEU . 1.0 OUTLIER -49.55 -65.12 0.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.311 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -48.11 -38.28 17.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -68.93 -37.04 78.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.323 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.434 ' ND2' HD22 ' A' ' 67' ' ' LEU . 1.3 m-20 -58.72 -48.24 81.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.6 mmtm -58.08 -49.64 76.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.407 ' CD1' HD13 ' A' ' 21' ' ' LEU . 5.8 mt -49.85 -42.44 18.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -63.97 -37.08 86.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.63 -47.57 79.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.499 ' SG ' ' CD1' ' A' ' 80' ' ' LEU . 66.4 m -58.8 112.81 1.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 108.306 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 9.0 t -107.32 -14.72 14.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.418 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -105.87 -70.84 0.78 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.467 1.104 . . . . 0.0 111.006 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.1 p -137.62 162.42 33.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 0.783 . . . . 0.0 109.99 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.573 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 12.7 tp -111.82 115.16 28.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -110.12 104.95 13.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.521 ' HE3' ' CZ ' ' A' ' 19' ' ' PHE . 28.9 mtm -134.16 151.27 51.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 111.041 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.4 m -97.73 145.51 26.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 110.444 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 32.4 mt -113.85 162.72 15.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -112.3 129.1 56.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.433 ' HG3' ' CA ' ' A' ' 4' ' ' GLY . 0.0 OUTLIER -81.51 152.77 27.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -96.23 89.22 5.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.128 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.2 t -152.59 84.27 1.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.983 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -172.33 104.78 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 56.7 173.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 62.75 117.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.65 162.6 20.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.3 t -103.99 112.34 25.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.96 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -72.99 116.09 46.94 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.272 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -178.85 4.47 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.476 1.777 . . . . 0.0 111.027 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 33.0 m -109.91 132.68 57.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.272 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -121.58 141.26 51.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.967 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 88.3 p -119.31 158.9 25.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.999 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -115.47 121.83 5.4 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 110.24 3.08 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.493 1.786 . . . . 0.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.02 135.07 53.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.981 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 55.5 p -107.44 128.03 54.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.0 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 O-C-N 124.496 1.123 . . . . 0.0 111.0 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.0 m -92.57 162.34 14.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 0.77 . . . . 0.0 110.029 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m -97.56 -62.27 1.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.019 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.95 -111.71 1.57 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.549 1.156 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.26 -51.85 1.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.768 . . . . 0.0 110.014 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 m 60.7 164.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.029 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.56 142.64 3.47 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 40.9 t -96.3 161.59 13.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 0.759 . . . . 0.0 110.001 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.472 ' CG2' ' N ' ' A' ' 10' ' ' SER . 1.2 p -130.96 163.79 35.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.472 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 26.8 t -137.24 123.89 21.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.019 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 31.7 mt -115.31 151.64 34.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.237 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 74.7 t -117.76 106.67 20.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -176.51 155.01 17.85 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.477 1.111 . . . . 0.0 111.027 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.524 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.98 -6.34 17.94 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.516 1.798 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.627 ' O ' ' CD1' ' A' ' 17' ' ' TRP . . . 161.72 -50.09 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.01 76.9 3.27 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.5 1.789 . . . . 0.0 110.981 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.627 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 2.1 m95 -71.35 -23.96 62.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 108.002 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 108.91 6.11 30.45 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.469 1.106 . . . . 0.0 111.04 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.569 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 1.7 p90 -125.33 160.72 28.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 0.77 . . . . 0.0 111.032 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.0 175.51 6.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 110.333 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.455 HD11 ' CD1' ' A' ' 73' ' ' ILE . 73.6 mt -137.06 151.3 48.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -151.89 149.59 29.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.291 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.475 ' CA ' ' HG2' ' A' ' 29' ' ' MET . . . 106.63 -153.1 16.97 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 116.44 175.51 17.78 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -64.63 -22.86 67.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 0.77 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -78.8 -34.02 45.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -93.67 16.24 14.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.959 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 49.68 47.2 23.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.271 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.475 ' HG2' ' CA ' ' A' ' 23' ' ' GLY . 1.9 ptm -168.98 171.92 3.17 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 111.0 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.406 ' O ' ' HG3' ' A' ' 29' ' ' MET . 18.4 Cg_endo -74.98 -161.56 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.525 1.803 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.0 mt -116.25 105.74 12.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -112.98 168.1 9.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 110.404 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 21.4 mm -78.44 105.65 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.74 -58.16 9.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.99 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -153.24 -179.21 7.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 109.981 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.413 ' CD1' ' HB2' ' A' ' 42' ' ' ALA . 0.2 OUTLIER -149.24 163.57 37.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.4 tttp -96.27 147.46 23.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -54.08 113.2 1.15 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 62.63 33.71 87.45 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.499 1.125 . . . . 0.0 110.977 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.8 178.88 24.0 Favored Glycine 0 CA--C 1.529 0.95 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.59 -55.91 22.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 0.748 . . . . 0.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.413 ' HB2' ' CD1' ' A' ' 36' ' ' LEU . . . -45.94 -46.12 15.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.3 t -57.61 -43.05 84.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 110.016 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -65.44 -24.36 67.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.289 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.447 ' HB2' ' CG2' ' A' ' 9' ' ' VAL . . . -89.4 11.04 20.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 32.7 m-70 64.6 37.72 7.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.575 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 88.9 t -96.61 116.72 39.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 0.0 109.245 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 -103.78 157.9 16.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.285 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.2 mt -67.06 134.77 29.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.286 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 107.49 -4.86 35.05 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -69.17 125.71 27.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 0.768 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 82.5 t -89.85 132.34 34.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.338 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.1 t -83.83 102.75 10.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.347 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 50.1 mt -67.45 -44.08 79.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.1 p -138.99 170.26 16.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.973 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.42 HG23 ' CB ' ' A' ' 72' ' ' LYS . 91.6 mt -141.97 91.86 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 81' ' ' ASN . 13.0 t0 68.64 50.74 0.65 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 73.07 3.25 60.15 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.0 mm -97.27 145.98 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 0.756 . . . . 0.0 109.283 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.83 117.47 23.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.042 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -92.95 28.91 1.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -80.41 -57.23 3.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.274 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -105.25 50.17 0.85 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.515 1.135 . . . . 0.0 111.0 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 30.3 mtm -131.07 132.42 44.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 110.997 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 81.5 p -75.68 171.49 14.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.571 1.169 . . . . 0.0 110.422 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.435 ' NE2' ' O ' ' A' ' 21' ' ' LEU . 3.1 t-160 -53.1 -50.62 64.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 109.574 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.545 ' CD1' ' N ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -56.49 -49.54 74.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.545 ' N ' ' CD1' ' A' ' 67' ' ' LEU . 2.3 mt-10 -48.07 -60.32 2.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.296 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.77 -48.7 69.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -56.69 -43.61 80.66 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 110.312 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.427 ' ND2' HD23 ' A' ' 67' ' ' LEU . 1.6 m-20 -52.8 -47.94 67.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 75' ' ' ALA . 30.9 mmtm -58.51 -55.93 28.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.455 ' CD1' HD11 ' A' ' 21' ' ' LEU . 7.7 mt -49.26 -40.52 13.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.7 mttp -62.88 -31.18 72.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 72' ' ' LYS . . . -66.6 -40.44 88.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.473 ' CB ' HD12 ' A' ' 80' ' ' LEU . 77.6 m -68.72 112.56 5.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 108.3 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.9 t -109.9 -18.28 13.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.399 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -101.29 -71.82 0.94 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.5 p -131.82 163.29 28.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 0.755 . . . . 0.0 109.979 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.593 ' HB2' ' CH2' ' A' ' 17' ' ' TRP . 12.8 tp -117.49 119.48 35.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.427 ' O ' ' N ' ' A' ' 57' ' ' ASP . 1.0 OUTLIER -114.26 104.82 12.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.107 . . . . 0.0 109.27 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 33.5 mtm -139.0 159.28 42.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 111.019 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.5 m -107.25 147.9 29.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.164 . . . . 0.0 110.349 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 41.6 mt -115.16 163.59 15.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.268 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -111.66 123.75 50.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.128 . . . . 0.0 110.259 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.417 ' HD2' ' N ' ' A' ' 86' ' ' ARG . 1.6 mpt_? -80.06 119.25 22.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.311 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -98.17 75.75 2.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 93.2 p -93.71 168.81 10.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.043 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . 64.65 176.87 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.267 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 57.83 65.08 1.39 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -129.18 107.95 9.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 109.267 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.09 110.96 5.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 46.4 m -109.0 157.87 18.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.003 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -105.87 120.95 47.41 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 110.31 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 175.95 10.54 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.526 1.803 . . . . 0.0 111.028 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 66.2 t -111.71 144.42 19.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 48.9 p -126.31 120.24 29.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.019 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.1 m -152.16 144.95 24.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 110.045 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 135.77 172.38 12.64 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.574 1.172 . . . . 0.0 111.035 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 147.71 34.4 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.442 1.759 . . . . 0.0 110.987 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.44 101.37 10.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.984 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -101.18 133.17 46.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 110.005 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.561 1.163 . . . . 0.0 110.99 179.992 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.4 t -94.94 88.39 5.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 0.766 . . . . 0.0 109.998 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.3 t 73.87 -59.41 0.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.003 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 54.66 -126.95 39.13 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.494 1.121 . . . . 0.0 111.007 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.431 ' O ' ' NH1' ' A' ' 86' ' ' ARG . 0.2 OUTLIER -155.6 152.37 28.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 0.768 . . . . 0.0 110.012 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 m -52.86 173.3 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 109.975 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.55 133.91 2.64 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.508 1.13 . . . . 0.0 110.973 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 39.6 t -96.18 161.9 13.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 0.748 . . . . 0.0 110.044 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.468 ' CG2' ' N ' ' A' ' 10' ' ' SER . 1.7 p -139.57 165.24 22.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.468 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 32.6 t -132.38 136.95 47.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.994 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 26.4 mt -125.18 148.16 48.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.433 HG12 ' CE ' ' A' ' 41' ' ' LYS . 7.6 p -114.78 107.19 22.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -172.11 154.25 21.17 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.519 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.97 -6.51 18.17 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.566 1.824 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.639 ' O ' ' CD1' ' A' ' 17' ' ' TRP . . . 161.26 -49.57 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' ' 15' ' ' ALA . 18.1 Cg_endo -75.07 79.86 2.58 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.479 1.779 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.639 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 2.3 m95 -75.04 -23.05 58.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 107.996 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.476 ' CA ' ' HB3' ' A' ' 37' ' ' LYS . . . 104.67 27.83 5.9 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.507 1.129 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.567 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 1.6 p90 -150.78 151.94 33.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 0.77 . . . . 0.0 110.985 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.2 mmt-85 -119.24 166.26 13.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.448 ' CD1' HD13 ' A' ' 73' ' ' ILE . 96.2 mt -126.37 155.36 42.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -155.21 149.72 26.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 110.276 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.468 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 102.4 -161.56 17.06 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.488 1.118 . . . . 0.0 111.03 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 126.46 -173.51 18.07 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.408 ' CA ' ' HE2' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -66.93 -50.02 63.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 0.758 . . . . 0.0 109.297 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -61.05 -20.06 62.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -96.39 -16.54 21.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.5 t30 69.5 38.31 1.79 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.468 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 3.3 ptm -157.21 165.09 19.55 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 110.996 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 155.79 42.82 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.526 1.803 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.6 mt -75.18 112.88 11.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -121.59 168.03 12.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.406 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 29.0 mm -78.54 105.2 7.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.93 -62.28 1.61 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.011 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -149.83 174.7 12.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.033 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.505 HD12 ' CA ' ' A' ' 43' ' ' SER . 0.2 OUTLIER -120.03 154.95 33.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.258 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.476 ' HB3' ' CA ' ' A' ' 18' ' ' GLY . 0.0 OUTLIER -100.13 135.14 42.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.29 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -49.52 123.26 7.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.335 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 44.01 50.78 7.44 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.47 1.106 . . . . 0.0 110.992 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -98.66 179.65 31.76 Favored Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.433 ' CE ' HG12 ' A' ' 12' ' ' VAL . 0.1 OUTLIER -62.88 -57.02 12.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 0.784 . . . . 0.0 109.305 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.431 ' CB ' ' HB3' ' A' ' 19' ' ' PHE . . . -41.66 -61.77 1.02 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.505 ' CA ' HD12 ' A' ' 36' ' ' LEU . 38.8 t -47.42 -48.4 26.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.432 1.082 . . . . 0.0 109.956 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -57.2 -27.36 61.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 42' ' ' ALA . . . -87.5 11.64 14.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 34.1 m-70 61.25 36.92 17.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.635 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 86.3 t -94.35 110.06 23.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.9 mtm180 -102.11 162.27 13.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.0 mt -61.71 132.13 27.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 114.06 -18.24 19.01 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.478 1.111 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -53.66 124.05 14.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 0.779 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 85.5 t -94.36 128.61 45.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.467 ' CG1' HG13 ' A' ' 56' ' ' ILE . 22.1 t -80.55 111.53 17.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 45.0 mt -76.81 -38.11 54.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.371 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.9 m -152.77 158.14 41.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 109.998 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.467 HG13 ' CG1' ' A' ' 53' ' ' VAL . 18.1 mt -132.69 130.29 59.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 81' ' ' ASN . 39.0 t0 54.58 29.12 10.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 85.54 1.17 87.85 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.471 1.107 . . . . 0.0 111.025 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.47 HG13 ' CE ' ' A' ' 72' ' ' LYS . 5.9 mm -94.84 126.4 47.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.447 0.734 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.22 123.15 19.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.983 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -89.51 43.17 1.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -90.95 62.21 4.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.281 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 120.14 43.15 0.49 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.517 1.136 . . . . 0.0 110.953 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 5.4 mtm -115.54 137.52 51.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 0.747 . . . . 0.0 111.001 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.4 p -80.68 164.27 22.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 110.43 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -52.2 -56.8 12.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.634 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.0 tp -46.61 -50.87 16.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 109.355 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -51.02 -69.14 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.332 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -47.73 -44.55 27.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -58.81 -40.56 84.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.99 -50.65 72.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.47 ' CE ' HG13 ' A' ' 59' ' ' ILE . 36.0 mmtt -52.95 -58.54 6.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.421 1.076 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.448 HD13 ' CD1' ' A' ' 21' ' ' LEU . 6.4 mt -44.57 -47.41 2.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.0 mttp -60.54 -38.97 86.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 72' ' ' LYS . . . -58.5 -47.99 82.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.265 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.493 ' CB ' HD11 ' A' ' 80' ' ' LEU . 59.3 m -58.26 105.23 0.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 108.292 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 11.0 t -99.15 -11.74 21.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.143 . . . . 0.0 110.392 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -109.09 -79.31 1.11 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.515 1.134 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.2 p -126.32 162.24 25.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 0.774 . . . . 0.0 110.018 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.583 ' HB2' ' CH2' ' A' ' 17' ' ' TRP . 9.3 tp -110.64 121.76 46.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.451 ' O ' ' N ' ' A' ' 57' ' ' ASP . 0.9 OUTLIER -116.43 105.22 12.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 27.9 mtm -136.77 156.04 49.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.138 . . . . 0.0 111.012 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.8 m -104.18 146.1 29.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.411 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 47.7 mt -115.78 162.1 17.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.261 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -110.31 119.28 38.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.309 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.431 ' NH1' ' O ' ' A' ' 5' ' ' SER . 1.8 mpt_? -78.44 119.76 22.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.088 . . . . 0.0 110.288 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -149.08 79.06 1.4 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.16 170.4 10.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.0 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.53 141.81 15.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -108.33 102.32 11.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.255 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -122.26 162.56 21.23 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.403 ' HD3' ' N ' ' A' ' 92' ' ' LYS . 1.3 mppt? -117.09 168.88 9.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.34 103.09 7.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.969 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.98 111.19 53.73 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.341 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 174.28 13.05 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.468 1.773 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 86.4 t -96.09 137.66 23.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 33.7 t -100.31 117.64 34.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.992 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.4 m -171.2 156.91 4.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.922 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -80.2 -170.29 41.15 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.502 1.127 . . . . 0.0 111.009 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 59.46 5.21 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.529 1.805 . . . . 0.0 110.993 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.93 130.84 56.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.992 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.21 90.56 8.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.989 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.121 . . . . 0.0 110.987 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.9 p -85.68 135.91 33.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 0.801 . . . . 0.0 110.016 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.5 t -57.06 158.59 4.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.054 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.54 -161.12 10.91 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.0 m 55.58 66.79 1.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 0.777 . . . . 0.0 109.983 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.0 p -164.83 176.36 8.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 110.01 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.73 136.28 2.18 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.501 1.125 . . . . 0.0 111.01 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 40.8 t -94.44 163.24 13.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 0.767 . . . . 0.0 109.991 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.465 ' CG2' ' N ' ' A' ' 10' ' ' SER . 0.9 OUTLIER -137.94 163.4 29.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.465 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 47.2 t -136.2 130.29 32.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.025 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 54.9 mt -119.69 148.01 43.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 76.1 t -115.69 106.66 20.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -174.63 156.36 22.81 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.512 1.132 . . . . 0.0 111.05 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.507 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.01 -5.8 17.25 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.518 1.799 . . . . 0.0 110.962 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.633 ' O ' ' CD1' ' A' ' 17' ' ' TRP . . . 161.8 -50.15 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.545 ' CD ' ' N ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.95 78.81 2.79 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.451 1.763 . . . . 0.0 111.028 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.633 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 1.9 m95 -73.3 -23.72 60.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 107.983 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.459 ' CA ' ' HB3' ' A' ' 37' ' ' LYS . . . 107.45 26.19 5.74 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.472 1.107 . . . . 0.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.603 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 0.9 OUTLIER -147.86 149.55 32.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 0.751 . . . . 0.0 110.962 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.415 ' CB ' ' OG ' ' A' ' 34' ' ' SER . 2.8 mmt180 -113.23 174.63 5.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.42 ' N ' ' HB3' ' A' ' 34' ' ' SER . 54.6 mt -131.1 159.77 36.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -160.41 145.72 14.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.479 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 102.34 -160.52 17.44 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.488 1.118 . . . . 0.0 110.984 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 127.63 175.21 14.01 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.18 -36.53 84.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 0.749 . . . . 0.0 109.302 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.54 -20.93 61.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.433 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 27.0 m-85 -95.87 -17.47 21.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.087 . . . . 0.0 111.0 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.433 ' CB ' ' O ' ' A' ' 27' ' ' PHE . 20.2 t-20 78.29 36.64 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.479 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 4.3 ptm -159.73 164.56 19.97 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.959 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 157.59 42.54 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.466 1.771 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.6 mt -75.42 118.44 18.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -127.2 168.73 14.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.093 . . . . 0.0 110.389 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 37.8 mm -78.66 104.23 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.42 ' HB3' ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -48.78 -60.24 2.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.967 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.75 176.36 12.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.113 . . . . 0.0 109.953 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.494 HD13 ' CA ' ' A' ' 43' ' ' SER . 0.4 OUTLIER -117.23 154.22 31.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.459 ' HB3' ' CA ' ' A' ' 18' ' ' GLY . 0.0 OUTLIER -97.23 136.02 38.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.69 112.56 0.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 58.49 46.3 93.32 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.453 1.096 . . . . 0.0 111.035 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -90.92 178.44 42.22 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -71.48 -54.78 9.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.766 . . . . 0.0 109.305 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.474 ' CB ' ' HB3' ' A' ' 19' ' ' PHE . . . -40.23 -60.73 1.01 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.494 ' CA ' HD13 ' A' ' 36' ' ' LEU . 5.9 p -47.46 -48.37 26.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.999 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -63.54 -22.64 67.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 42' ' ' ALA . . . -90.74 16.72 8.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.419 ' HA ' ' NH2' ' A' ' 48' ' ' ARG . 13.5 m-70 59.13 50.25 8.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.102 . . . . 0.0 109.579 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 44.5 t -108.77 99.24 8.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.42 ' NH2' ' O ' ' A' ' 43' ' ' SER . 8.8 mmp_? -87.94 166.42 14.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.0 mt -72.33 133.36 31.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 107.27 -9.67 39.08 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.506 1.129 . . . . 0.0 111.032 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -58.51 125.05 21.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 0.751 . . . . 0.0 109.308 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 72.3 t -93.11 129.86 43.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.506 ' CG1' ' O ' ' A' ' 55' ' ' SER . 99.8 t -84.1 104.57 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 32.6 mt -69.29 -45.46 69.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.506 ' O ' ' CG1' ' A' ' 53' ' ' VAL . 87.8 p -130.92 172.76 11.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.006 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.479 HG13 ' CG1' ' A' ' 53' ' ' VAL . 17.5 mt -146.12 92.68 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 81' ' ' ASN . 7.3 t0 71.57 43.86 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.112 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 75.63 5.3 78.2 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.459 1.1 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.42 ' O ' ' N ' ' A' ' 56' ' ' ILE . 2.9 mm -103.4 137.58 31.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 0.768 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.4 t -67.74 120.92 14.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.976 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -102.35 40.21 1.39 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -88.87 -48.22 7.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -113.5 52.64 0.63 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.543 1.152 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 8.1 mtm -129.27 135.5 48.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 0.739 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 19.4 p -79.96 165.45 22.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.391 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -47.43 -48.89 26.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.578 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.537 ' CD1' ' N ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -57.09 -54.35 47.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.537 ' N ' ' CD1' ' A' ' 67' ' ' LEU . 9.7 mm-40 -45.54 -57.03 4.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.62 -51.89 66.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -53.16 -47.3 68.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.431 ' ND2' ' CD2' ' A' ' 67' ' ' LEU . 1.9 m-20 -52.1 -48.66 64.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.1 mmtt -59.51 -57.74 11.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.409 ' CD1' HD13 ' A' ' 21' ' ' LEU . 5.3 mt -50.96 -40.22 20.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.343 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.0 tttt -65.47 -32.47 74.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.84 -28.03 67.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 34.7 m -77.09 98.0 4.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 108.33 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 12.0 t -98.86 -5.77 30.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.408 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -111.2 -77.59 0.9 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.495 1.122 . . . . 0.0 111.046 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.42 159.36 36.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.77 . . . . 0.0 110.006 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.577 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 12.7 tp -114.42 118.38 33.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.415 ' O ' ' N ' ' A' ' 57' ' ' ASP . 1.2 m-80 -116.61 105.04 12.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.09 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.44 ' HE3' ' CD2' ' A' ' 80' ' ' LEU . 25.3 mtm -140.56 152.85 45.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.9 m -98.45 147.44 24.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.393 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 17.6 mt -114.77 166.18 12.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.426 ' HG2' ' N ' ' A' ' 86' ' ' ARG . 0.0 OUTLIER -117.28 137.74 52.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.298 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.426 ' N ' ' HG2' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -77.16 151.07 35.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.31 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -126.21 89.64 3.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.6 t -97.03 90.21 5.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.971 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -170.86 100.11 0.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 0.0 109.329 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -158.37 156.34 30.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -134.38 153.4 51.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.11 173.51 6.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.07 144.15 51.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.993 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -99.61 154.05 37.47 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 176.6 9.7 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.519 1.8 . . . . 0.0 111.035 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 27.7 m -123.12 160.47 25.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.446 1.091 . . . . 0.0 109.336 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.3 m -117.83 150.25 39.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 110.018 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.55 136.46 23.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.994 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 107.82 100.29 2.65 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.539 1.15 . . . . 0.0 111.003 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 123.27 7.74 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.514 1.797 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.7 m -98.47 140.37 32.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 110.012 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.27 148.69 50.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.033 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.522 1.139 . . . . 0.0 111.016 179.976 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.2 m 59.82 106.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 0.741 . . . . 0.0 109.995 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.9 m -54.89 -59.17 5.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.994 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.91 -78.18 0.39 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.482 1.114 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.3 p -116.22 118.21 32.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 0.755 . . . . 0.0 109.98 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.5 p 53.69 174.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 109.942 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.93 149.63 5.79 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.476 1.11 . . . . 0.0 110.976 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.7 p -93.5 151.66 19.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 0.791 . . . . 0.0 109.983 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.458 ' CG2' ' N ' ' A' ' 10' ' ' SER . 1.3 p -122.03 163.34 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.458 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 47.3 t -133.37 115.65 15.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.017 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 34.5 mt -102.99 149.97 24.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.273 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 77.9 t -117.94 106.35 19.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -177.26 156.88 21.21 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.519 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.04 -4.88 16.05 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.493 1.786 . . . . 0.0 111.031 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.557 ' O ' ' CD1' ' A' ' 17' ' ' TRP . . . 161.67 -50.14 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.546 ' CD ' ' N ' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -75.02 77.61 3.1 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.509 1.794 . . . . 0.0 111.02 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.589 ' CZ2' ' HB2' ' A' ' 80' ' ' LEU . 2.8 m95 -70.19 -25.96 63.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 107.952 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.475 ' CA ' ' HB3' ' A' ' 37' ' ' LYS . . . 106.28 29.11 4.94 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.483 1.115 . . . . 0.0 110.976 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.601 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 0.8 OUTLIER -148.95 149.56 31.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 0.796 . . . . 0.0 111.018 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.4 mmm180 -114.44 175.71 5.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 110.343 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.477 ' CD1' HD13 ' A' ' 73' ' ' ILE . 69.6 mt -135.1 152.25 51.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -153.03 143.32 22.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.565 1.166 . . . . 0.0 110.286 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.477 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 107.98 -157.72 15.23 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.493 1.121 . . . . 0.0 111.029 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 122.97 -169.96 15.35 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.39 -55.88 8.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 0.765 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -56.46 -19.33 14.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -95.85 -20.37 18.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 111.014 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 72.78 43.5 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.477 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 4.7 ptm -164.57 164.99 13.13 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 155.89 43.01 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.529 1.805 . . . . 0.0 111.009 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.7 mt -75.35 111.96 11.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.255 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -117.94 167.78 11.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.427 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 30.0 mm -78.46 100.35 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.404 ' HB3' ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -45.9 -59.61 2.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 109.994 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -153.8 175.37 13.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.997 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.496 HD11 ' CA ' ' A' ' 43' ' ' SER . 0.2 OUTLIER -119.57 163.54 17.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.272 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.475 ' HB3' ' CA ' ' A' ' 18' ' ' GLY . 13.0 tttp -109.67 128.28 55.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -43.34 121.52 2.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 45.8 53.77 8.43 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -103.08 165.44 16.03 Favored Glycine 0 CA--C 1.531 1.057 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.09 -48.51 64.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 0.785 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.477 ' CB ' ' HB3' ' A' ' 19' ' ' PHE . . . -48.98 -63.91 0.96 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.496 ' CA ' HD11 ' A' ' 36' ' ' LEU . 83.8 p -47.25 -48.26 24.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.0 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -54.91 -26.2 34.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.36 12.56 13.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 10.5 m170 59.87 42.95 15.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.623 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 98.1 t -98.5 112.36 30.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.408 1.067 . . . . 0.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.5 mtm180 -101.47 161.5 13.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 110.284 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.1 mt -64.92 133.72 30.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 112.84 -18.42 22.03 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.566 1.166 . . . . 0.0 111.03 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -53.84 126.04 20.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.757 . . . . 0.0 109.236 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 82.7 t -94.66 132.61 38.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.33 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.464 HG13 ' CG1' ' A' ' 56' ' ' ILE . 43.4 t -89.11 104.85 15.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 42.5 mt -73.28 -42.62 62.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.3 p -131.89 164.47 26.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 110.007 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.47 ' CD1' ' HB2' ' A' ' 69' ' ' ALA . 55.5 mt -142.26 98.32 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 81' ' ' ASN . 16.2 t0 71.23 50.65 0.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.113 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 65.44 13.18 57.96 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.536 1.147 . . . . 0.0 111.008 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.418 HG13 ' CE ' ' A' ' 72' ' ' LYS . 3.1 mm -109.36 143.41 19.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.498 0.763 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.4 t -75.07 123.88 25.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 110.008 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -98.75 28.24 4.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -92.97 53.51 2.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 0.0 110.321 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 142.66 45.22 0.05 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 9.1 mtm -129.45 135.48 48.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 0.754 . . . . 0.0 110.989 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.9 p -72.23 161.9 30.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.42 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.452 ' NE2' ' C ' ' A' ' 21' ' ' LEU . 3.1 t-160 -51.92 -50.46 61.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.596 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.544 ' CD1' ' N ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -53.98 -54.49 38.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.544 ' N ' ' CD1' ' A' ' 67' ' ' LEU . 54.6 mm-40 -46.66 -60.14 2.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 110.277 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.47 ' HB2' ' CD1' ' A' ' 56' ' ' ILE . . . -51.71 -43.57 62.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -64.02 -37.19 86.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.566 1.166 . . . . 0.0 110.263 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.411 ' ND2' HD22 ' A' ' 67' ' ' LEU . 1.7 m-20 -62.02 -46.46 89.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.444 ' CB ' HG23 ' A' ' 56' ' ' ILE . 20.7 mmtm -57.72 -52.47 65.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.477 HD13 ' CD1' ' A' ' 21' ' ' LEU . 6.1 mt -45.54 -41.98 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.108 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.66 -40.35 87.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 72' ' ' LYS . . . -48.7 -25.9 2.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.401 ' C ' ' O ' ' A' ' 75' ' ' ALA . 17.8 p -41.76 123.94 2.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 108.301 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 8.9 t -107.34 0.72 23.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.39 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -179.41 -56.31 0.08 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.496 1.123 . . . . 0.0 110.974 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.4 p -126.83 160.95 29.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 0.75 . . . . 0.0 110.02 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.589 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 11.1 tp -111.0 142.46 43.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.426 ' O ' ' N ' ' A' ' 57' ' ' ASP . 0.6 OUTLIER -131.43 105.11 7.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 39.6 mtm -139.88 144.65 37.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.2 m -91.23 148.37 22.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.393 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 50.6 mt -117.0 166.44 12.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -121.58 125.35 46.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 110.328 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.01 150.07 32.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.266 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -117.33 97.36 5.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.4 m -57.34 147.87 24.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.996 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . 54.93 88.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -143.04 91.06 2.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -80.79 114.22 19.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.81 140.94 44.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.76 123.43 27.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.974 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -107.27 133.97 20.12 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.253 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 166.17 29.77 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.485 1.781 . . . . 0.0 111.025 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 55.3 t -82.14 111.86 19.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.62 156.97 26.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.453 1.096 . . . . 0.0 109.981 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.6 t -154.78 111.43 3.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.974 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 157.19 -144.98 11.25 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.492 1.12 . . . . 0.0 110.969 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 69.43 5.55 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.521 1.8 . . . . 0.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 49.5 m -120.09 102.9 8.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 110.023 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.06 127.19 52.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.017 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.488 1.118 . . . . 0.0 111.012 179.986 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 4' ' ' GLY . 0.6 OUTLIER 65.4 153.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.433 0.725 . . . . 0.0 110.01 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.2 m 64.83 -76.45 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.01 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 2' ' ' SER . . . -120.18 165.96 13.64 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.515 1.134 . . . . 0.0 111.032 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.41 86.57 2.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 0.764 . . . . 0.0 110.009 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.1 p -103.65 -174.85 2.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.041 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.56 136.53 2.95 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.466 1.104 . . . . 0.0 110.978 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.9 p -92.37 151.93 20.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 0.781 . . . . 0.0 110.003 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.473 ' CG2' ' N ' ' A' ' 10' ' ' SER . 1.4 p -129.27 164.09 32.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.473 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 40.4 t -128.34 124.44 36.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.996 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.428 ' CD1' ' HB3' ' A' ' 17' ' ' TRP . 6.3 mt -99.82 147.87 25.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.168 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 76.2 t -118.05 106.44 19.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.292 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -178.93 156.95 19.98 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.514 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -75.0 -5.22 16.52 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.506 1.793 . . . . 0.0 111.032 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.54 ' N ' ' CD ' ' A' ' 16' ' ' PRO . . . 161.89 -50.52 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.99 75.88 3.56 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.461 1.769 . . . . 0.0 111.013 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.591 ' CZ2' ' HB2' ' A' ' 80' ' ' LEU . 2.7 m95 -67.19 -27.49 67.31 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.463 ' CA ' ' HB3' ' A' ' 37' ' ' LYS . . . 103.59 29.48 5.6 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.49 1.118 . . . . 0.0 110.966 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.629 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -148.58 148.74 30.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 0.761 . . . . 0.0 110.975 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.68 174.66 6.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.474 HD12 ' CD1' ' A' ' 73' ' ' ILE . 77.9 mt -120.09 160.18 23.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -156.12 149.11 24.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.273 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.48 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 91.14 -162.02 28.22 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.544 1.153 . . . . 0.0 111.012 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 132.11 161.43 10.04 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.86 -29.08 26.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 0.757 . . . . 0.0 109.291 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -79.02 -31.55 44.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -87.39 -3.39 59.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 111.002 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 60.87 53.08 3.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.48 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 4.3 ptm -172.96 165.71 3.24 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.145 . . . . 0.0 110.996 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.4 ' O ' ' HG3' ' A' ' 29' ' ' MET . 18.4 Cg_endo -74.96 155.23 43.13 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.523 1.802 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.8 mt -74.76 119.84 19.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -127.79 171.16 11.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.389 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 22.7 mm -78.47 100.89 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.421 ' HB3' ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -44.49 -57.29 3.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.98 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.0 175.57 13.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 110.009 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.506 HD11 ' CA ' ' A' ' 43' ' ' SER . 0.3 OUTLIER -120.01 167.68 11.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.271 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.463 ' HB3' ' CA ' ' A' ' 18' ' ' GLY . 5.4 tttp -113.95 133.82 55.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.16 118.39 1.89 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 47.84 51.63 17.9 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.51 1.131 . . . . 0.0 111.029 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -98.5 162.66 20.64 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.76 -59.19 3.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 0.743 . . . . 0.0 109.246 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.481 ' CB ' ' HB3' ' A' ' 19' ' ' PHE . . . -42.04 -63.74 0.69 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.107 . . . . 0.0 109.367 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.506 ' CA ' HD11 ' A' ' 36' ' ' LEU . 1.4 t -47.43 -47.8 26.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.025 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -55.06 -25.72 32.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 110.268 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 42' ' ' ALA . . . -90.67 14.92 12.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 64.22 42.43 5.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.582 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 93.1 t -96.08 108.58 21.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.2 mtm180 -105.59 155.62 19.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 2.9 mt -58.57 132.66 23.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.451 1.095 . . . . 0.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 115.12 -19.39 15.22 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.484 1.115 . . . . 0.0 111.025 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -53.99 124.37 15.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 0.758 . . . . 0.0 109.274 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 77.4 t -93.75 128.67 44.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.349 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.468 HG11 ' CG1' ' A' ' 56' ' ' ILE . 36.6 t -87.69 106.59 16.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 40.2 mt -75.82 -33.04 60.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.263 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.407 ' O ' ' CG1' ' A' ' 53' ' ' VAL . 18.0 p -146.14 166.79 25.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.143 . . . . 0.0 110.028 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.468 ' CG1' HG11 ' A' ' 53' ' ' VAL . 85.9 mt -142.94 89.37 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 81' ' ' ASN . 17.7 t0 75.81 55.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 63.43 13.71 51.3 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.528 1.142 . . . . 0.0 110.991 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.403 HG13 ' NZ ' ' A' ' 72' ' ' LYS . 2.3 mm -107.9 138.05 36.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.519 0.776 . . . . 0.0 109.255 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.2 t -73.68 122.76 22.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 109.985 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -103.81 33.22 3.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -74.29 -64.38 1.03 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.301 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -105.46 51.94 0.74 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.528 1.143 . . . . 0.0 111.035 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.7 mtm -117.33 132.53 56.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 0.761 . . . . 0.0 111.016 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 64.3 p -79.85 157.44 26.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.374 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.444 ' NE2' ' C ' ' A' ' 21' ' ' LEU . 2.0 t-160 -43.31 -50.12 6.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.631 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 18.5 tp -55.53 -50.72 69.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.247 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -51.11 -64.69 0.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 110.285 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.03 -48.48 43.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -58.73 -41.12 85.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 110.279 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -52.61 -53.27 49.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 75' ' ' ALA . 25.1 mmmt -47.36 -61.37 1.94 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.474 ' CD1' HD12 ' A' ' 21' ' ' LEU . 5.9 mt -44.92 -48.71 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -51.45 -36.98 46.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 72' ' ' LYS . . . -94.55 45.8 1.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 73' ' ' ILE . 32.0 p -95.85 166.43 11.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 108.313 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.7 t -173.24 120.63 0.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.34 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 84.86 -74.75 2.45 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.8 p -141.8 164.4 30.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 0.771 . . . . 0.0 110.013 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.591 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 14.4 tp -120.32 110.58 16.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 57' ' ' ASP . 1.7 m-80 -98.55 109.24 22.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.09 . . . . 0.0 109.342 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.513 ' HE1' ' CE2' ' A' ' 19' ' ' PHE . 35.0 mtm -134.68 145.15 48.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 111.028 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.402 ' OG1' ' OG ' ' A' ' 55' ' ' SER . 20.3 m -90.69 151.04 21.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.368 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 70.0 mt -125.26 168.13 13.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.117 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.428 ' HG3' ' N ' ' A' ' 86' ' ' ARG . 1.1 tp-100 -129.29 136.8 50.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.308 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.428 ' N ' ' HG3' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -76.87 152.77 35.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.095 . . . . 0.0 110.298 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -163.96 98.42 0.85 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.62 163.41 36.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.02 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -97.35 111.25 23.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 109.342 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.92 168.83 3.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -150.01 166.95 28.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.03 130.12 53.65 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.35 126.64 40.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.991 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -77.57 157.71 79.58 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.331 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 149.85 37.21 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.504 1.792 . . . . 0.0 110.985 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 8.8 p -114.58 142.93 25.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.65 133.4 54.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.968 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.1 p -171.96 147.48 2.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.002 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -61.06 143.67 48.63 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.506 1.129 . . . . 0.0 110.957 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 138.31 22.92 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.461 1.769 . . . . 0.0 110.993 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -111.58 127.68 55.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.007 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -111.83 147.74 35.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.047 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 179.989 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.948 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.9 p -118.15 123.44 45.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 0.744 . . . . 0.0 110.01 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -143.73 169.55 17.54 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.53 1.144 . . . . 0.0 109.958 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.24 -115.85 1.23 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.488 1.118 . . . . 0.0 111.007 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -101.41 -64.68 1.03 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 0.785 . . . . 0.0 109.99 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.434 ' HB2' ' CD1' ' A' ' 54' ' ' LEU . 0.6 OUTLIER -134.31 -46.9 0.77 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.002 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.86 136.4 2.21 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.0 m -106.47 156.4 18.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 0.764 . . . . 0.0 110.008 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.467 ' CG2' ' N ' ' A' ' 10' ' ' SER . 1.4 p -143.53 164.36 15.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.467 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 9.4 t -134.39 129.37 35.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.008 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 35.4 mt -113.07 148.57 34.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.346 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.1 p -117.8 106.62 20.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -176.2 157.05 22.56 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.461 1.1 . . . . 0.0 111.022 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.52 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.01 -6.06 17.57 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.526 1.803 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.609 ' O ' ' CD1' ' A' ' 17' ' ' TRP . . . 161.96 -50.25 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.57 1.169 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.0 77.46 3.13 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.441 1.758 . . . . 0.0 110.959 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.609 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 2.1 m95 -71.03 -24.9 62.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 108.016 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 37' ' ' LYS . . . 108.06 3.88 33.68 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.498 1.124 . . . . 0.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.608 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 0.7 OUTLIER -121.96 139.77 53.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 0.779 . . . . 0.0 110.968 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.446 ' CB ' ' OG ' ' A' ' 34' ' ' SER . 2.7 mmm180 -106.99 174.32 5.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 110.294 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.479 ' CD1' HD11 ' A' ' 73' ' ' ILE . 72.9 mt -135.5 154.66 51.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -158.94 149.27 19.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 110.297 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.487 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 100.99 -157.38 19.17 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.125 . . . . 0.0 111.043 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 121.96 -175.48 16.31 Favored Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.18 -53.51 43.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 0.754 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -59.16 -17.44 27.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -97.48 -15.05 20.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 110.983 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 70.04 35.48 2.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.255 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.487 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 3.3 ptm -157.61 165.41 18.78 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.149 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 154.43 42.45 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.488 1.783 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.6 mt -75.33 111.27 10.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.7 167.56 11.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.445 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.496 ' CG1' ' OD2' ' A' ' 51' ' ' ASP . 51.4 mm -78.23 102.02 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.446 ' OG ' ' CB ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -44.1 -56.01 4.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.157 . . . . 0.0 110.006 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -161.26 179.95 7.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.992 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.443 HD11 ' CB ' ' A' ' 42' ' ' ALA . 0.2 OUTLIER -130.57 151.94 50.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 18' ' ' GLY . 6.2 ttpt -95.93 149.48 21.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -57.3 118.02 4.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.37 46.71 86.51 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.463 1.102 . . . . 0.0 110.981 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -87.95 160.89 31.44 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.14 -47.07 72.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 0.789 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.469 ' CB ' ' HB3' ' A' ' 19' ' ' PHE . . . -55.59 -56.73 16.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.2 p -54.64 -34.21 61.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.002 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -69.0 -21.95 64.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 110.335 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -89.44 11.14 20.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 13.3 m-70 65.99 37.61 5.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.566 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 60.5 t -94.75 113.58 29.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -95.93 152.23 18.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 110.277 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.408 ' CD1' HG21 ' A' ' 33' ' ' ILE . 21.1 mm -58.34 138.17 19.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 108.91 -11.87 34.7 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.469 1.106 . . . . 0.0 111.011 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.496 ' OD2' ' CG1' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -53.6 142.12 23.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 0.744 . . . . 0.0 109.314 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 75.5 t -110.69 116.79 53.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.474 ' CG1' ' O ' ' A' ' 55' ' ' SER . 61.4 t -71.59 104.6 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.434 ' CD1' ' HB2' ' A' ' 6' ' ' SER . 39.7 mt -71.8 -37.45 70.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.474 ' O ' ' CG1' ' A' ' 53' ' ' VAL . 33.9 p -141.01 169.35 17.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.996 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.469 ' CG1' HG13 ' A' ' 53' ' ' VAL . 77.1 mt -143.77 86.28 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 81' ' ' ASN . 5.4 t70 76.73 46.57 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 73.55 2.86 61.1 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.473 1.108 . . . . 0.0 110.984 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.4 mm -97.2 144.22 11.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.482 0.754 . . . . 0.0 109.33 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.64 115.81 16.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 110.004 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -94.8 28.13 2.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -85.67 -49.39 8.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.412 1.07 . . . . 0.0 110.297 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -109.8 47.64 1.02 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.499 1.124 . . . . 0.0 111.042 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 7.7 mtm -129.01 134.82 48.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 0.761 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.452 ' OG1' ' CG ' ' A' ' 68' ' ' GLU . 27.3 p -74.45 171.52 13.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.398 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -54.57 -54.28 43.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.58 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.553 ' CD1' ' N ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -56.94 -47.01 81.68 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.553 ' N ' ' CD1' ' A' ' 67' ' ' LEU . 22.9 mm-40 -47.15 -57.99 4.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.272 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.86 -46.25 88.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.344 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -56.58 -39.69 73.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.289 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.427 ' ND2' HD21 ' A' ' 67' ' ' LEU . 1.8 m-20 -57.97 -50.06 74.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.449 ' CB ' HG23 ' A' ' 56' ' ' ILE . 0.6 OUTLIER -54.32 -63.29 1.2 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.479 HD11 ' CD1' ' A' ' 21' ' ' LEU . 3.4 mt -45.82 -34.34 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.107 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.14 -51.84 67.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.336 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.7 -37.82 66.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.463 ' CB ' HD11 ' A' ' 80' ' ' LEU . 19.4 m -65.94 122.8 18.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 108.305 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 59.8 p -118.05 -52.56 2.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.387 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -63.95 -78.52 0.19 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.542 1.152 . . . . 0.0 111.013 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.8 p -129.19 163.76 24.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 0.735 . . . . 0.0 110.014 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.564 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 14.2 tp -115.4 125.58 53.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 57' ' ' ASP . 1.0 OUTLIER -114.9 105.34 12.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.533 ' HE3' ' CZ ' ' A' ' 19' ' ' PHE . 45.6 mtm -136.0 167.14 21.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 111.042 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.9 m -117.78 147.21 43.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.371 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.7 mt -117.74 159.6 22.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -108.62 123.1 48.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.312 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -79.38 118.83 21.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.309 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -96.43 75.53 2.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.553 1.158 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.3 m 38.88 87.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.991 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . 52.49 -177.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -144.68 119.8 10.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -41.8 138.33 1.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.63 164.48 34.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.14 132.53 56.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 110.016 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -110.59 140.68 22.8 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.331 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 137.12 21.37 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.475 1.776 . . . . 0.0 111.019 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 16.7 m -76.65 124.62 35.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.22 135.78 54.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.992 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.4 m -91.06 167.11 12.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.096 . . . . 0.0 110.013 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -158.7 -178.53 32.8 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 109.43 2.93 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.508 1.794 . . . . 0.0 110.963 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.8 t -75.71 126.21 30.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.014 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 17.3 m -118.09 96.82 5.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 110.009 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.51 1.131 . . . . 0.0 110.967 179.996 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -137.79 112.42 8.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 0.743 . . . . 0.0 110.001 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.9 p -88.04 167.46 13.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 109.992 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.46 149.97 51.66 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.482 1.114 . . . . 0.0 110.964 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.9 m -118.1 -176.63 3.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 0.76 . . . . 0.0 110.018 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.9 m -168.08 168.12 12.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.987 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.57 144.75 4.46 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.502 1.126 . . . . 0.0 111.056 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.8 p -88.73 146.09 25.24 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 0.765 . . . . 0.0 110.016 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -117.04 153.69 18.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 36.1 t -122.62 122.53 39.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.995 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 39.3 mt -113.47 145.05 41.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.4 p -112.79 106.35 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -173.04 154.77 21.39 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.533 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.02 -6.94 18.68 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.438 1.757 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.658 ' O ' ' CD1' ' A' ' 17' ' ' TRP . . . 161.26 -49.63 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.545 ' CD ' ' N ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.96 80.24 2.47 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.505 1.792 . . . . 0.0 111.016 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.658 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 1.9 m95 -75.76 -22.22 56.68 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 107.83 -14.39 37.95 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.511 1.132 . . . . 0.0 110.987 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.545 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 1.4 p90 -106.31 157.98 17.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 0.739 . . . . 0.0 110.991 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.46 167.98 16.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.412 ' CD1' HD13 ' A' ' 73' ' ' ILE . 23.0 mt -121.02 161.81 21.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -158.42 147.77 19.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.174 . . . . 0.0 110.282 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.481 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 98.49 -163.12 20.72 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.519 1.137 . . . . 0.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.46 179.95 16.84 Favored Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.95 -44.67 79.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 0.746 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.71 -14.84 63.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.095 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.441 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 6.0 m-85 -97.49 -24.85 15.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.441 ' CB ' ' O ' ' A' ' 27' ' ' PHE . 1.3 t-20 77.8 46.16 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.481 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 3.0 ptm -167.46 165.75 8.49 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 111.009 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 152.82 41.15 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.475 1.776 . . . . 0.0 110.993 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 mt -75.48 109.71 9.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.09 168.24 10.74 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 110.436 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.464 ' CG1' ' OD2' ' A' ' 51' ' ' ASP . 17.6 mm -78.34 102.99 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -47.76 -62.14 1.6 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 110.01 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.15 -173.93 4.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.991 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -156.53 158.73 37.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 62.1 tttt -95.11 147.22 23.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -51.74 117.69 2.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 50.15 41.22 38.18 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.52 -145.36 0.58 Allowed Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.15 -63.43 1.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.763 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -46.26 -42.31 14.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.4 t -62.26 -41.8 98.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.98 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -63.08 -24.81 68.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 110.27 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.76 7.88 31.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.112 . . . . 0.0 109.349 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 26.1 m-70 67.15 45.2 1.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 109.589 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 66.6 t -108.0 115.73 49.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.6 mtm180 -98.75 136.3 38.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 110.317 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 20.8 mm -41.09 141.39 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 109.349 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 109.39 -13.13 33.36 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.527 1.142 . . . . 0.0 111.045 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.464 ' OD2' ' CG1' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -53.96 141.96 26.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 0.787 . . . . 0.0 109.243 -179.945 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 73.2 t -108.69 118.0 55.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.473 ' CG1' HG13 ' A' ' 56' ' ' ILE . 28.8 t -72.79 103.97 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 87.7 mt -70.98 -39.19 72.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.4 ' OG ' ' HA ' ' A' ' 60' ' ' SER . 15.3 m -152.18 159.61 43.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.123 . . . . 0.0 110.027 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.473 HG13 ' CG1' ' A' ' 53' ' ' VAL . 17.8 mt -131.37 128.98 62.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 81' ' ' ASN . 34.8 t70 55.22 20.58 3.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 97.0 -3.29 62.16 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.535 1.147 . . . . 0.0 110.98 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.424 HG13 ' CE ' ' A' ' 72' ' ' LYS . 5.1 mm -89.77 125.37 42.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.516 0.774 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.4 ' HA ' ' OG ' ' A' ' 55' ' ' SER . 0.4 OUTLIER -66.51 121.27 14.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.997 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -89.54 42.86 1.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -81.86 -39.37 24.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.275 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -131.8 46.71 1.05 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.488 1.118 . . . . 0.0 110.969 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.5 mtm -119.14 144.76 46.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 111.028 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 73.2 p -95.01 159.56 14.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.368 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -42.84 -53.43 4.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.559 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 11.7 tp -48.91 -56.91 7.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -50.16 -64.19 0.89 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.294 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.08 -47.02 53.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -57.9 -42.65 85.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -53.45 -52.78 58.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.424 ' CE ' HG13 ' A' ' 59' ' ' ILE . 36.6 mmtt -52.28 -53.46 43.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.412 HD13 ' CD1' ' A' ' 21' ' ' LEU . 6.8 mt -53.68 -30.15 18.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.98 -24.81 35.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.98 -13.07 57.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.279 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.491 ' CB ' HD12 ' A' ' 80' ' ' LEU . 74.6 m -89.41 97.57 11.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 108.318 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.8 p -105.97 85.34 2.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.407 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 144.24 -68.96 0.42 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.529 1.143 . . . . 0.0 110.957 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.0 p -130.54 159.5 36.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 0.76 . . . . 0.0 110.02 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.573 ' HB2' ' CH2' ' A' ' 17' ' ' TRP . 12.7 tp -122.51 133.87 54.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 109.279 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 57' ' ' ASP . 0.7 OUTLIER -128.11 105.28 8.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.286 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 27.0 mtm -137.68 164.33 29.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 111.051 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.6 m -107.6 150.7 26.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 110.38 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.409 ' CD2' ' OD1' ' A' ' 51' ' ' ASP . 11.5 mt -124.62 160.3 28.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.344 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -113.97 120.18 39.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.259 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -81.84 119.36 23.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.318 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -125.07 78.95 1.75 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.18 82.73 1.99 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.995 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -168.24 107.08 0.5 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -173.97 175.94 2.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -175.11 86.39 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.35 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.32 119.98 39.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.9 m -115.54 109.76 18.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.008 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -100.38 132.8 21.96 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.32 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 117.48 4.93 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.512 1.796 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 77.5 t -98.21 100.64 10.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.316 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.0 m -105.82 146.08 30.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.022 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 32.4 p -168.71 155.24 7.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.976 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -129.55 70.35 0.52 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 98.61 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.54 1.811 . . . . 0.0 110.972 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.5 m -119.95 105.14 10.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.044 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.68 148.46 25.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.995 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.539 1.149 . . . . 0.0 110.978 -179.977 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.7 m -152.99 -57.01 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 0.773 . . . . 0.0 109.959 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.1 m -135.64 142.38 45.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.044 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.08 166.32 38.65 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.5 p -165.21 -57.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 0.741 . . . . 0.0 109.988 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.8 p -168.12 172.77 8.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.059 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.02 141.01 3.18 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.487 1.117 . . . . 0.0 111.026 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.3 p -99.24 154.7 17.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.593 0.82 . . . . 0.0 109.992 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.433 ' CG2' ' N ' ' A' ' 10' ' ' SER . 0.5 OUTLIER -121.43 160.12 23.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.433 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 19.0 t -128.4 122.99 32.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.999 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 70.3 mt -115.14 144.15 44.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 75.3 t -114.49 106.86 21.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -174.8 156.64 23.18 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.509 1.131 . . . . 0.0 110.945 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.511 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -75.05 -5.57 16.93 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.496 1.787 . . . . 0.0 111.004 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.625 ' O ' ' CD1' ' A' ' 17' ' ' TRP . . . 161.72 -50.14 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.95 78.67 2.83 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.472 1.775 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.625 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 2.2 m95 -73.0 -24.26 60.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 108.028 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.469 ' CA ' ' HB3' ' A' ' 37' ' ' LYS . . . 105.66 27.76 5.63 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.49 1.119 . . . . 0.0 110.984 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.591 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 1.2 p90 -148.7 144.29 27.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 0.762 . . . . 0.0 110.986 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.416 ' CB ' ' OG ' ' A' ' 34' ' ' SER . 5.2 mmm180 -111.19 165.35 11.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.452 ' CD1' HD13 ' A' ' 73' ' ' ILE . 31.4 mt -126.21 157.68 37.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -158.07 153.17 25.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 110.302 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.486 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 98.17 -155.9 20.36 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.485 1.116 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 119.88 -176.65 16.22 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.6 ttpt -66.73 -49.49 65.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 0.742 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.03 -18.66 47.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -98.95 -18.81 17.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 111.03 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.9 t30 75.49 39.42 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.486 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 5.9 ptm -161.45 164.98 17.44 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.997 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 156.58 42.7 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.48 1.779 . . . . 0.0 110.995 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.6 mt -75.3 117.37 17.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.103 . . . . 0.0 109.276 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -124.52 167.34 14.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.432 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 26.0 mm -78.49 101.65 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.416 ' OG ' ' CB ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -46.24 -59.9 2.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.993 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.89 179.72 8.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.994 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.477 HD13 ' CA ' ' A' ' 43' ' ' SER . 0.4 OUTLIER -119.4 167.78 11.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.469 ' HB3' ' CA ' ' A' ' 18' ' ' GLY . 11.8 tttt -114.78 128.02 56.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -42.41 115.29 0.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.6 47.81 81.67 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -90.74 179.32 42.93 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.63 -56.84 4.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 0.762 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.44 ' CB ' ' HB3' ' A' ' 19' ' ' PHE . . . -41.58 -58.68 1.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.477 ' CA ' HD13 ' A' ' 36' ' ' LEU . 2.9 p -47.61 -48.41 28.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.158 . . . . 0.0 109.983 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -65.11 -22.17 66.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.249 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 42' ' ' ALA . . . -90.67 15.21 11.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.415 ' HA ' ' NH2' ' A' ' 48' ' ' ARG . 14.6 m-70 62.28 49.63 4.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.602 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 47.5 t -108.27 98.96 7.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.455 ' NH2' ' O ' ' A' ' 43' ' ' SER . 8.9 mmp_? -87.82 165.65 15.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.338 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 1.9 mt -72.8 129.43 35.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 111.68 -13.46 27.4 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.555 1.159 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -53.76 123.42 12.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.578 0.81 . . . . 0.0 109.281 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 81.9 t -90.1 127.64 42.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.479 ' CG1' HG13 ' A' ' 56' ' ' ILE . 38.6 t -82.46 105.87 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 37.7 mt -70.25 -47.89 59.36 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 0.0 109.341 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.408 ' OG ' ' HA ' ' A' ' 60' ' ' SER . 25.2 m -142.62 162.57 35.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.155 . . . . 0.0 109.992 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.479 HG13 ' CG1' ' A' ' 53' ' ' VAL . 35.1 mt -136.76 117.33 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.249 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 81' ' ' ASN . 18.6 t70 61.83 39.28 14.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 77.04 2.04 76.27 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.506 1.129 . . . . 0.0 110.982 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.469 HG13 ' CE ' ' A' ' 72' ' ' LYS . 2.9 mm -96.95 123.53 49.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.519 0.776 . . . . 0.0 109.264 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.408 ' HA ' ' OG ' ' A' ' 55' ' ' SER . 0.3 OUTLIER -66.1 123.99 21.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 110.001 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -88.19 44.58 1.21 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -99.21 67.23 1.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.334 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 136.35 -39.2 1.68 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.496 1.122 . . . . 0.0 110.978 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 13.1 mtm -43.93 137.48 3.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 0.75 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 68.0 p -83.1 168.38 16.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.341 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -49.01 -49.27 41.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.605 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.545 ' CD1' ' N ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -58.41 -49.52 76.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.545 ' N ' ' CD1' ' A' ' 67' ' ' LEU . 2.7 mt-10 -47.85 -56.98 6.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.6 -43.14 89.44 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -60.9 -40.45 93.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.432 ' ND2' HD21 ' A' ' 67' ' ' LEU . 1.4 m-20 -56.62 -49.19 75.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.469 ' CE ' HG13 ' A' ' 59' ' ' ILE . 36.2 mmtm -56.91 -52.12 66.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.452 HD13 ' CD1' ' A' ' 21' ' ' LEU . 5.6 mt -48.17 -49.99 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.344 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.09 -26.38 67.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 72' ' ' LYS . . . -66.66 -19.23 65.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.335 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 14.1 p -42.14 150.9 0.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 108.291 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 71.4 p -122.08 -44.12 2.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 110.401 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -133.01 -48.05 0.1 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.483 1.114 . . . . 0.0 110.974 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.78 154.6 45.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 0.775 . . . . 0.0 110.036 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.584 ' HB2' ' CH2' ' A' ' 17' ' ' TRP . 9.8 tp -98.05 145.78 26.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.217 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.408 ' O ' ' N ' ' A' ' 57' ' ' ASP . 0.6 OUTLIER -137.1 104.83 5.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.455 ' HE1' ' CZ ' ' A' ' 19' ' ' PHE . 27.3 mtm -135.47 146.37 48.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.1 m -91.82 144.26 25.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.435 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 62.5 mt -115.77 155.36 27.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -101.68 120.36 40.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 110.323 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -77.24 120.45 22.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -140.7 80.6 1.76 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 66.3 m -75.04 169.07 18.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.013 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -89.65 118.99 29.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -119.97 84.73 2.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -170.31 130.44 0.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.466 ' CD ' ' N ' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -147.32 131.48 17.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.135 . . . . 0.0 109.332 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.05 109.14 16.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.994 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -103.58 106.27 51.32 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 125.61 9.39 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.437 1.757 . . . . 0.0 111.012 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 83.7 t -117.99 138.29 49.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.53 113.68 23.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.978 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.1 m -76.65 137.56 39.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.029 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 133.92 92.66 0.47 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.5 1.125 . . . . 0.0 111.026 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 144.77 30.5 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.527 1.804 . . . . 0.0 110.95 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.3 t -111.53 140.0 46.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 110.003 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.1 t -133.36 109.22 9.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.991 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.496 1.123 . . . . 0.0 111.042 179.966 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.945 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.0 p -124.79 156.65 37.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 0.725 . . . . 0.0 110.011 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.96 143.48 19.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.008 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.53 83.5 1.74 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.496 1.123 . . . . 0.0 110.98 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.35 153.72 2.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 0.787 . . . . 0.0 110.019 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.2 m -86.38 -80.91 0.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.998 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.78 106.67 0.47 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.114 . . . . 0.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 54.2 p -105.65 157.52 17.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 0.754 . . . . 0.0 110.006 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.465 ' CG2' ' N ' ' A' ' 10' ' ' SER . 1.6 p -144.11 164.06 14.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.465 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 33.9 t -137.34 126.01 23.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.028 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 12.5 mt -111.31 154.38 24.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.277 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 69.5 t -118.46 107.59 22.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.165 . . . . 0.0 109.302 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -175.3 154.89 19.09 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.477 1.111 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.523 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.96 -6.43 18.07 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.474 1.776 . . . . 0.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.596 ' O ' ' CD1' ' A' ' 17' ' ' TRP . . . 161.94 -49.87 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.0 76.16 3.48 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.503 1.791 . . . . 0.0 110.996 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.597 ' CH2' ' HB2' ' A' ' 80' ' ' LEU . 2.9 m95 -69.73 -24.82 63.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 108.016 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.476 ' CA ' ' HB3' ' A' ' 37' ' ' LYS . . . 104.84 30.1 4.99 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.443 1.089 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.584 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 1.6 p90 -148.98 155.76 41.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 0.754 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -119.96 164.1 16.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.295 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.427 ' CD1' HD13 ' A' ' 73' ' ' ILE . 77.9 mt -128.69 152.69 48.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -156.25 148.38 23.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 110.251 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.478 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 103.46 -158.52 17.28 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 121.34 -173.35 15.58 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.15 -54.62 19.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 0.773 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -57.67 -18.8 22.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -96.83 -15.03 21.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 35.6 t-20 72.25 36.37 1.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.478 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 4.2 ptm -160.89 165.25 17.59 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.09 . . . . 0.0 110.982 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 155.56 42.95 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.519 1.799 . . . . 0.0 110.982 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.0 mt -75.29 110.85 9.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 109.268 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -118.84 166.89 12.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 110.398 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 26.2 mm -78.24 105.11 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.26 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.5 -61.52 1.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.023 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -154.8 175.75 13.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.008 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.482 HD13 ' CA ' ' A' ' 43' ' ' SER . 0.3 OUTLIER -115.16 158.47 22.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.476 ' HB3' ' CA ' ' A' ' 18' ' ' GLY . 3.0 tttt -101.91 137.8 39.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -46.1 117.4 1.53 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 46.18 48.31 15.25 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -86.29 -174.71 49.61 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -73.86 -58.42 3.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 0.0 109.324 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 45' ' ' ALA . . . -39.51 -56.66 1.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.482 ' CA ' HD13 ' A' ' 36' ' ' LEU . 70.1 p -47.59 -48.33 28.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.0 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -63.57 -21.43 66.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.277 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 42' ' ' ALA . . . -88.79 13.45 12.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.267 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 11.7 m-70 60.84 37.79 18.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.596 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 43.1 t -95.15 112.69 28.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.351 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.403 ' O ' ' OD1' ' A' ' 51' ' ' ASP . 5.0 mtm180 -101.31 157.76 16.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.32 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 2.2 mt -63.2 131.41 28.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.27 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 113.4 -14.89 22.78 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.481 1.113 . . . . 0.0 110.974 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 48' ' ' ARG . 23.4 m-20 -54.45 123.58 13.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 0.802 . . . . 0.0 109.359 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 91.1 t -92.76 130.88 41.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.491 ' CG1' HG13 ' A' ' 56' ' ' ILE . 45.3 t -82.43 110.56 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 78.2 mt -76.78 -47.74 20.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.6 m -143.52 165.14 28.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.006 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.491 HG13 ' CG1' ' A' ' 53' ' ' VAL . 15.7 mt -142.96 131.48 20.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 26.1 t0 54.63 27.83 9.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 85.79 3.31 85.98 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.489 1.118 . . . . 0.0 111.035 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.412 ' O ' ' N ' ' A' ' 56' ' ' ILE . 3.7 mm -97.98 125.51 51.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 0.775 . . . . 0.0 109.258 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.5 t -66.77 125.42 25.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.008 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -87.51 44.66 1.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.273 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -103.3 41.27 1.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 155.39 44.13 0.02 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.47 1.106 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 31.4 mtm -133.86 139.99 46.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 0.785 . . . . 0.0 110.934 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 17.3 p -86.26 170.33 12.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.387 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.503 ' O ' ' CG ' ' A' ' 70' ' ' GLN . 3.1 t-160 -49.51 -44.92 46.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.581 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.546 ' CD1' ' N ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -58.34 -51.54 69.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.568 1.168 . . . . 0.0 109.283 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.546 ' N ' ' CD1' ' A' ' 67' ' ' LEU . 1.3 mt-10 -47.74 -64.72 0.71 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.125 . . . . 0.0 110.254 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -48.74 -50.1 35.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.503 ' CG ' ' O ' ' A' ' 66' ' ' HIS . 6.2 mm-40 -55.57 -44.54 76.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.278 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.421 ' ND2' HD22 ' A' ' 67' ' ' LEU . 1.8 m-20 -53.53 -51.15 63.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.266 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 75' ' ' ALA . 28.8 mmtt -55.78 -58.63 7.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.565 1.166 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.427 HD13 ' CD1' ' A' ' 21' ' ' LEU . 4.2 mt -50.13 -43.38 21.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.348 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.2 mtpt -65.93 -26.39 67.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 72' ' ' LYS . . . -77.36 -36.48 53.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.485 ' CB ' HD13 ' A' ' 80' ' ' LEU . 3.3 m -60.75 112.63 2.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 108.322 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 64.6 p -115.58 90.07 3.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.402 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 135.31 -62.51 0.61 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.504 1.127 . . . . 0.0 110.998 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.3 p -133.73 160.93 36.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 0.771 . . . . 0.0 109.997 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.597 ' HB2' ' CH2' ' A' ' 17' ' ' TRP . 8.4 tp -120.58 116.81 26.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -109.6 105.11 14.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 24.8 mtm -139.1 149.86 45.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 111.018 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.7 m -100.13 145.19 28.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.423 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 59.4 mt -115.26 160.7 19.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.239 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -105.55 122.28 45.69 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.493 1.121 . . . . 0.0 110.26 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.75 153.42 32.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.277 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -161.22 97.79 1.14 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.099 . . . . 0.0 109.281 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -116.05 173.87 6.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.01 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . 179.81 172.91 0.96 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.268 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 59.75 90.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -90.03 85.15 6.24 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 59.8 82.47 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.2 t -105.19 131.2 52.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.994 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.72 151.63 58.58 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.27 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 101.37 1.46 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.489 1.784 . . . . 0.0 111.032 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 59.6 t -72.78 130.94 35.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.95 102.52 2.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.536 1.147 . . . . 0.0 109.985 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -175.39 84.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 110.037 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -160.14 -68.64 0.02 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 132.48 15.43 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.531 1.806 . . . . 0.0 110.967 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.6 m -101.21 156.68 17.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.13 . . . . 0.0 110.055 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.03 138.53 40.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.997 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.507 1.129 . . . . 0.0 111.025 -179.998 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.03 127.48 42.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.761 . . . . 0.0 109.951 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.2 -62.12 1.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.004 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.45 -134.1 10.47 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.547 1.154 . . . . 0.0 110.972 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.9 p -110.36 167.67 10.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 0.798 . . . . 0.0 110.02 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.0 p 50.27 -178.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.949 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.49 148.97 6.85 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.475 1.109 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.8 p -106.46 152.08 24.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 0.765 . . . . 0.0 109.996 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.405 ' CG2' ' N ' ' A' ' 10' ' ' SER . 0.4 OUTLIER -120.8 158.17 23.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.405 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 40.2 t -126.95 124.01 38.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.939 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 30.9 mt -115.53 149.15 38.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 75.4 t -117.54 106.55 20.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -173.92 154.71 20.25 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.494 1.121 . . . . 0.0 110.986 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.518 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.5 Cg_endo -74.98 -5.63 17.05 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.447 1.761 . . . . 0.0 111.048 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.636 ' O ' ' CD1' ' A' ' 17' ' ' TRP . . . 161.47 -49.93 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.544 ' CD ' ' N ' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.05 78.21 2.96 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.501 1.79 . . . . 0.0 110.961 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.636 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 2.5 m95 -72.94 -23.58 60.7 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.463 ' O ' ' N ' ' A' ' 37' ' ' LYS . . . 106.13 28.15 5.35 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.572 ' CD2' ' HB2' ' A' ' 17' ' ' TRP . 2.3 p90 -150.17 152.07 34.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 0.743 . . . . 0.0 111.032 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.462 ' CB ' ' HB3' ' A' ' 34' ' ' SER . 0.0 OUTLIER -116.55 163.64 15.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.577 1.173 . . . . 0.0 110.289 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.459 ' CD2' HD11 ' A' ' 33' ' ' ILE . 15.8 mt -123.18 149.58 44.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -150.59 152.54 34.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.319 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.482 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 96.1 -163.64 23.32 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.527 1.142 . . . . 0.0 111.033 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 128.81 174.59 13.77 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.9 ttpt -61.86 -29.29 70.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 0.784 . . . . 0.0 109.327 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -80.01 -20.19 46.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -99.93 0.43 41.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 110.999 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.2 m-20 61.35 39.3 15.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.482 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 7.0 ptm -162.81 163.5 17.57 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 111.016 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 158.45 42.53 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.492 1.786 . . . . 0.0 111.06 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.6 mt -75.75 113.42 13.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -123.23 168.62 12.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.391 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.459 HD11 ' CD2' ' A' ' 21' ' ' LEU . 34.2 mm -78.51 102.09 4.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.462 ' HB3' ' CB ' ' A' ' 20' ' ' ARG . 23.1 t -49.46 -64.43 0.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.994 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -145.17 173.87 11.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 0.0 109.966 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.494 HD13 ' CA ' ' A' ' 43' ' ' SER . 0.2 OUTLIER -123.18 152.86 40.79 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 18' ' ' GLY . 14.3 tttt -95.84 134.57 38.65 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.77 126.28 15.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 41.66 53.56 4.37 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -100.54 -173.68 29.61 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -71.77 -57.48 4.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 0.739 . . . . 0.0 109.329 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 45' ' ' ALA . . . -39.83 -64.59 0.47 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.494 ' CA ' HD13 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -47.49 -46.67 27.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.954 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -59.89 -24.91 64.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 110.27 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 42' ' ' ALA . . . -86.53 8.81 20.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.254 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.448 ' O ' ' NH1' ' A' ' 48' ' ' ARG . 19.6 m-70 65.51 45.14 2.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.566 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 87.8 t -105.62 108.24 24.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.448 ' NH1' ' O ' ' A' ' 46' ' ' HIS . 0.1 OUTLIER -95.19 157.52 15.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 110.307 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 2.5 mt -62.41 135.09 27.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 107.47 -11.41 39.35 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.497 1.123 . . . . 0.0 110.975 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -59.02 128.92 39.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 0.752 . . . . 0.0 109.273 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 83.5 t -94.5 138.3 21.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.455 HG13 ' CG1' ' A' ' 56' ' ' ILE . 28.5 t -91.34 102.53 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 26.4 mt -68.39 -41.74 80.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.8 p -140.57 168.54 19.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.015 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.455 ' CG1' HG13 ' A' ' 53' ' ' VAL . 35.5 mt -142.09 129.03 19.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 81' ' ' ASN . 8.3 t0 53.95 21.85 3.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 87.04 16.6 60.76 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.538 1.149 . . . . 0.0 111.012 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.409 HG21 ' N ' ' A' ' 60' ' ' SER . 1.3 mt -114.8 152.93 16.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 0.78 . . . . 0.0 109.339 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.409 ' N ' HG21 ' A' ' 59' ' ' ILE . 0.4 OUTLIER -70.63 123.48 21.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 110.013 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -93.83 22.31 5.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -88.72 94.57 9.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 122.32 -51.5 0.79 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.462 1.101 . . . . 0.0 111.006 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 33.2 mtm -41.82 133.47 2.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 0.764 . . . . 0.0 110.964 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.9 p -80.16 169.71 17.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.382 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.447 ' NE2' ' C ' ' A' ' 21' ' ' LEU . 3.8 t-160 -45.96 -59.22 2.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.614 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.549 ' CD1' ' N ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -47.21 -54.39 10.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 109.357 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.549 ' N ' ' CD1' ' A' ' 67' ' ' LEU . 1.4 mt-10 -47.69 -58.7 3.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.32 -41.0 62.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -67.73 -37.82 82.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.281 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 67' ' ' LEU . 1.2 m-20 -59.13 -49.82 76.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 26.0 mmmt -58.17 -52.98 63.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.432 HD12 ' CD1' ' A' ' 21' ' ' LEU . 7.7 mt -55.57 -35.97 40.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.251 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -65.06 -46.92 79.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.8 -34.66 65.52 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.259 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.501 ' SG ' ' CD1' ' A' ' 80' ' ' LEU . 85.5 m -59.23 91.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 108.362 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 10.3 t -104.28 72.2 1.05 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.48 1.112 . . . . 0.0 110.412 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 157.16 -63.23 0.32 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.456 1.097 . . . . 0.0 110.982 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.9 p -139.13 159.41 42.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 0.732 . . . . 0.0 109.996 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.583 ' HB2' ' CH2' ' A' ' 17' ' ' TRP . 15.0 tp -118.84 131.14 56.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.451 ' O ' ' N ' ' A' ' 57' ' ' ASP . 0.7 OUTLIER -126.65 104.86 8.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.439 ' HE1' ' CD2' ' A' ' 80' ' ' LEU . 25.9 mtm -141.43 151.49 43.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.955 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.9 m -97.71 146.29 25.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.418 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 42.0 mt -116.58 164.48 14.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -116.55 127.41 54.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.358 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -76.68 121.27 23.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.324 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -110.76 79.37 1.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 80.0 p -98.93 167.66 10.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.03 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . 63.77 78.72 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -135.71 60.99 1.67 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.08 168.48 3.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.19 154.64 47.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.51 99.06 7.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.988 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -117.42 138.09 24.71 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 134.87 18.25 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 0.0 111.038 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 80.0 t -108.18 127.02 64.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 88.5 p -113.83 145.16 41.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.015 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.6 t -178.2 118.14 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.977 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -49.26 105.61 0.15 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.452 1.095 . . . . 0.0 110.991 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 69.7 5.47 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.482 1.78 . . . . 0.0 111.037 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 88.2 p -107.52 146.21 32.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.031 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -119.53 119.43 33.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.019 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.471 1.107 . . . . 0.0 111.057 179.954 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 t -113.81 82.42 1.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 0.791 . . . . 0.0 109.967 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.4 m -142.93 108.85 5.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.991 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.54 86.43 0.06 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.494 1.121 . . . . 0.0 111.033 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.01 144.71 0.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 0.747 . . . . 0.0 110.03 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.76 -176.12 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.008 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.54 149.49 5.81 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.479 1.112 . . . . 0.0 111.027 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.2 p -88.57 152.29 21.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 0.746 . . . . 0.0 109.976 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.473 ' CG2' ' N ' ' A' ' 10' ' ' SER . 1.5 p -126.66 164.62 26.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.351 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.473 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 46.8 t -134.23 123.85 24.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.963 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 17.1 mt -113.25 150.46 32.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.33 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.0 p -117.78 106.8 20.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.555 1.159 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -175.16 154.82 19.11 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.451 1.094 . . . . 0.0 111.015 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.52 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.99 -5.71 17.15 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.544 1.813 . . . . 0.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.62 ' O ' ' CD1' ' A' ' 17' ' ' TRP . . . 161.69 -50.19 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.537 ' CD ' ' N ' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.01 76.46 3.4 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.454 1.765 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.62 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 2.5 m95 -70.5 -24.52 62.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 108.009 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 104.62 29.65 5.23 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.551 1.157 . . . . 0.0 110.97 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.575 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 1.3 p90 -150.86 145.41 25.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 0.773 . . . . 0.0 110.962 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.9 mtm180 -110.13 169.97 8.38 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.431 1.082 . . . . 0.0 110.264 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.467 ' CD2' HD12 ' A' ' 33' ' ' ILE . 48.3 mt -131.23 148.09 52.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -146.42 142.21 27.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.329 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.475 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 106.49 -163.81 13.53 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.517 1.136 . . . . 0.0 111.016 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 134.41 -171.05 22.4 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.96 -48.3 54.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 0.769 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.462 ' OD1' ' N ' ' A' ' 26' ' ' ASP . 4.5 p-10 -65.11 -22.41 66.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.427 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 7.4 m-85 -87.0 -21.62 26.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.427 ' CB ' ' O ' ' A' ' 27' ' ' PHE . 2.7 t30 77.3 28.42 0.61 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.475 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 3.5 ptm -151.91 165.01 18.38 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.541 1.15 . . . . 0.0 111.013 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 153.69 42.29 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.501 1.79 . . . . 0.0 110.98 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.1 mt -75.62 106.38 7.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.67 169.02 9.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 110.412 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.467 HD12 ' CD2' ' A' ' 21' ' ' LEU . 48.6 mm -78.35 100.56 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -47.41 -62.02 1.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.989 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.19 175.11 12.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.997 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.506 HD11 ' CA ' ' A' ' 43' ' ' SER . 0.2 OUTLIER -120.65 167.83 12.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -113.7 139.03 49.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -52.33 120.09 5.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 43.96 52.95 6.63 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.515 1.135 . . . . 0.0 110.982 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -103.89 163.57 15.27 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.88 -57.14 3.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 0.764 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.472 ' CB ' ' HB3' ' A' ' 19' ' ' PHE . . . -43.25 -67.3 0.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.506 ' CA ' HD11 ' A' ' 36' ' ' LEU . 26.8 p -47.55 -48.04 27.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 110.027 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -58.3 -23.73 57.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.099 . . . . 0.0 110.329 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 42' ' ' ALA . . . -95.14 26.46 3.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.575 1.172 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.416 ' HA ' ' NH2' ' A' ' 48' ' ' ARG . 20.7 m-70 48.31 52.03 14.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.635 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 60.1 t -107.31 98.16 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.416 ' NH2' ' HA ' ' A' ' 46' ' ' HIS . 9.0 mmp_? -86.78 166.06 15.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.115 . . . . 0.0 110.279 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.1 mt -76.92 133.84 30.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 114.86 -13.52 19.95 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.526 1.141 . . . . 0.0 110.998 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.432 ' OD2' ' CG1' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -56.55 149.14 17.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 0.792 . . . . 0.0 109.312 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.43 ' N ' ' OD1' ' A' ' 51' ' ' ASP . 71.6 t -117.66 115.03 47.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.501 ' CG1' ' O ' ' A' ' 55' ' ' SER . 87.8 t -71.57 100.32 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 82.7 mt -68.29 -40.64 81.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.35 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.501 ' O ' ' CG1' ' A' ' 53' ' ' VAL . 31.9 p -134.28 168.63 18.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.964 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.451 HG13 ' CG1' ' A' ' 53' ' ' VAL . 46.3 mt -142.32 99.21 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 109.249 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 81' ' ' ASN . 29.3 t0 65.13 46.53 2.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.9 18.66 74.56 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.561 1.163 . . . . 0.0 110.973 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.6 mm -114.94 142.83 26.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.525 0.779 . . . . 0.0 109.343 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.08 117.75 14.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.115 . . . . 0.0 110.014 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -94.59 31.61 1.75 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -83.61 -57.66 3.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.314 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -105.93 55.31 0.55 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.537 1.148 . . . . 0.0 110.978 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 16.8 mtm -133.05 136.49 45.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 0.747 . . . . 0.0 110.951 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 34.3 p -84.28 160.26 20.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 110.407 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.408 ' CE1' ' O ' ' A' ' 21' ' ' LEU . 3.5 t-160 -44.91 -53.5 7.52 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 109.599 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 15.3 tp -52.89 -59.64 4.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 0.0 109.338 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -47.47 -59.71 3.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.283 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.0 -48.97 61.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.259 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -56.19 -44.45 79.43 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.562 1.163 . . . . 0.0 110.28 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -49.54 -54.39 18.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.1 mmtm -51.61 -58.16 7.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.586 1.179 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.465 HD11 ' CD1' ' A' ' 21' ' ' LEU . 7.1 mt -47.69 -40.68 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.1 mttp -63.92 -40.8 97.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.32 -39.28 72.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 0.0 109.274 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.6 m -66.0 110.15 2.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 108.311 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 10.2 t -106.48 -29.76 9.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.378 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -86.22 -69.38 1.33 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.0 p -139.54 163.65 31.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 0.767 . . . . 0.0 110.004 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.578 ' HB2' ' CH2' ' A' ' 17' ' ' TRP . 11.9 tp -111.62 124.73 52.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.407 ' O ' ' N ' ' A' ' 57' ' ' ASP . 0.8 OUTLIER -119.54 104.84 10.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.34 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 40.2 mtm -138.33 148.38 44.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.2 m -94.74 147.19 23.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.437 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.8 mt -118.0 163.8 16.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -115.82 142.89 46.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.83 153.98 36.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -122.05 85.91 2.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.97 166.51 18.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.986 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . 61.97 163.65 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 62.91 124.68 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 62.36 76.35 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.74 167.19 21.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 63.1 p -103.35 134.11 47.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.016 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -100.91 149.4 36.17 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.271 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 165.32 31.59 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.546 1.814 . . . . 0.0 111.015 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 9.6 p -72.76 146.05 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.06 108.39 3.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.998 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.6 p -170.21 139.97 1.85 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.142 . . . . 0.0 110.014 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 158.75 179.49 33.64 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.503 1.127 . . . . 0.0 110.946 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 92.63 0.97 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.448 1.762 . . . . 0.0 110.991 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.9 p -113.45 128.81 56.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.979 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 30.9 t -99.65 101.33 12.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.017 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 -179.987 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.3 m 61.7 95.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 0.784 . . . . 0.0 110.018 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t -123.1 149.86 43.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.979 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.62 61.93 4.67 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.8 t -72.98 91.25 1.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 0.74 . . . . 0.0 109.976 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.2 t -122.23 -84.0 0.66 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.026 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.93 137.46 2.44 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.488 1.118 . . . . 0.0 110.962 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.6 p -92.27 159.86 15.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 0.781 . . . . 0.0 110.018 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -121.58 165.65 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 45.5 t -138.45 114.57 10.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.977 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 39.1 mt -110.82 150.32 29.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 72.3 t -118.09 106.97 20.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.346 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -175.4 156.19 21.64 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.558 1.161 . . . . 0.0 110.99 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.519 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.95 -5.81 17.28 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.488 1.783 . . . . 0.0 111.011 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.614 ' O ' ' CD1' ' A' ' 17' ' ' TRP . . . 161.67 -50.04 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -75.02 77.18 3.2 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.503 1.791 . . . . 0.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.614 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 2.3 m95 -71.08 -24.96 62.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 108.022 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.439 ' CA ' ' HB3' ' A' ' 37' ' ' LYS . . . 106.36 28.43 5.18 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.491 1.119 . . . . 0.0 111.031 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.59 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 1.1 p90 -147.91 148.23 30.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.441 0.73 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -113.0 170.98 7.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.133 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.458 ' CD1' HD12 ' A' ' 73' ' ' ILE . 78.8 mt -130.37 155.21 46.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -154.27 151.96 29.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.257 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.498 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 94.61 -157.48 22.4 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.487 1.117 . . . . 0.0 111.015 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 125.51 -170.45 17.41 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.5 mtmt -72.38 -49.27 35.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 0.79 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -64.46 -17.31 63.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -95.25 -15.68 23.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 0.0 111.001 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 70.82 41.46 0.87 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.256 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.498 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 3.5 ptm -164.36 165.75 12.52 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.107 . . . . 0.0 111.024 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 154.55 42.42 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.497 1.788 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.6 mt -75.19 116.14 15.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -123.76 166.24 15.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.387 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.467 HG21 ' CD2' ' A' ' 36' ' ' LEU . 19.7 mm -78.46 103.87 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.15 -63.43 1.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 110.01 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -150.63 176.32 11.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.0 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.467 ' CD2' HG21 ' A' ' 33' ' ' ILE . 0.5 OUTLIER -124.01 163.09 22.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.312 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.439 ' HB3' ' CA ' ' A' ' 18' ' ' GLY . 18.3 tttt -111.38 141.58 44.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -55.75 123.24 13.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 52.04 50.99 42.97 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -102.79 159.03 17.65 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.82 -52.89 36.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 0.785 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.455 ' CB ' ' HB3' ' A' ' 19' ' ' PHE . . . -46.68 -64.58 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.418 ' N ' HD12 ' A' ' 36' ' ' LEU . 1.7 t -47.84 -47.64 31.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.009 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -61.68 -22.14 65.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.276 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 42' ' ' ALA . . . -92.85 21.2 5.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.426 ' HA ' ' NH2' ' A' ' 48' ' ' ARG . 12.8 m-70 54.31 50.35 16.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.62 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 39.8 t -108.27 98.63 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.426 ' NH2' ' HA ' ' A' ' 46' ' ' HIS . 8.9 mmp_? -87.72 165.59 15.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 22.6 mm -71.57 138.85 20.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.63 -14.11 56.43 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.45 1.094 . . . . 0.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -53.79 127.77 27.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 0.766 . . . . 0.0 109.26 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 73.9 t -94.96 125.63 47.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.464 ' CG1' HG13 ' A' ' 56' ' ' ILE . 26.9 t -83.47 114.08 23.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 22.6 mt -80.44 -34.03 36.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.408 ' OG ' ' OG1' ' A' ' 83' ' ' THR . 6.3 p -145.9 163.44 35.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 110.034 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.476 HG22 ' CB ' ' A' ' 72' ' ' LYS . 19.1 mt -140.48 99.14 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 81' ' ' ASN . 2.8 t0 72.76 43.65 0.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.68 13.95 69.33 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.515 1.134 . . . . 0.0 110.95 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.464 HG13 ' CE ' ' A' ' 72' ' ' LYS . 2.7 mm -109.27 143.26 19.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.451 0.736 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.89 119.64 16.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 110.031 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -94.82 25.7 3.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -84.74 -59.52 2.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.253 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -98.68 48.82 1.33 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.497 1.123 . . . . 0.0 110.953 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 19.2 mtm -132.96 139.4 47.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 0.785 . . . . 0.0 111.041 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.0 p -77.61 171.57 14.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.397 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -57.5 -56.76 17.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.607 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.554 ' CD1' ' N ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -49.82 -49.0 50.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.342 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.554 ' N ' ' CD1' ' A' ' 67' ' ' LEU . 51.3 mm-40 -49.09 -65.14 0.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.332 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -46.17 -40.68 11.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -67.55 -38.77 84.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 110.317 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.413 ' ND2' HD22 ' A' ' 67' ' ' LEU . 1.3 m-20 -58.7 -48.24 81.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.267 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.476 ' CB ' HG22 ' A' ' 56' ' ' ILE . 29.4 mmtm -54.48 -48.3 71.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.458 HD12 ' CD1' ' A' ' 21' ' ' LEU . 6.6 mt -50.48 -47.97 26.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.5 -23.89 66.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.359 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.408 ' CB ' ' O ' ' A' ' 72' ' ' LYS . . . -69.23 -19.08 63.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 14.9 p -41.98 135.59 2.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 108.312 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 12.5 t -127.35 48.28 2.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 110.424 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 136.03 -54.02 0.74 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.517 1.136 . . . . 0.0 111.03 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -140.46 162.93 34.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.769 . . . . 0.0 110.02 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.582 ' HB2' ' CH2' ' A' ' 17' ' ' TRP . 11.1 tp -108.8 144.82 36.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.427 ' O ' ' N ' ' A' ' 57' ' ' ASP . 0.6 OUTLIER -135.3 104.9 6.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 21.3 mtm -136.36 155.48 50.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 111.029 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.408 ' OG1' ' OG ' ' A' ' 55' ' ' SER . 2.1 m -103.77 142.75 33.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.426 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 43.3 mt -114.74 152.52 31.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -95.08 118.6 32.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.258 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.53 152.09 36.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.279 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -171.09 94.1 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.3 p -46.27 169.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.007 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -111.86 149.43 31.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -115.17 101.41 8.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -140.62 143.86 35.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.77 57.42 1.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.36 131.7 38.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.99 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -96.64 147.23 32.62 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 149.7 36.94 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.503 1.791 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 10.8 p -129.96 133.15 64.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 47.5 t -110.99 146.86 35.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.023 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.9 p -172.33 140.71 1.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.979 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 152.9 119.7 0.79 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.48 1.113 . . . . 0.0 110.972 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 117.55 4.93 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.529 1.805 . . . . 0.0 111.006 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.2 m -93.9 127.93 39.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.995 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.96 114.23 16.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.038 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.474 1.109 . . . . 0.0 110.964 -179.983 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.0 p -161.89 120.03 2.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 0.745 . . . . 0.0 109.987 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.7 m -42.36 -54.96 3.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.014 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.59 70.72 0.04 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.52 1.137 . . . . 0.0 111.006 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.1 m 49.61 95.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 0.783 . . . . 0.0 110.015 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.4 p 53.79 172.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.127 . . . . 0.0 109.98 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.07 128.88 1.93 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.514 1.134 . . . . 0.0 110.963 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.7 m -90.48 169.21 11.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 0.752 . . . . 0.0 110.017 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.462 ' CG2' ' N ' ' A' ' 10' ' ' SER . 1.7 p -142.58 165.22 16.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.462 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 36.8 t -136.06 129.37 31.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.962 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 30.0 mt -116.22 147.24 41.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.2 p -118.61 106.39 19.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.265 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -174.62 156.38 22.88 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.477 1.111 . . . . 0.0 111.015 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.519 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.1 Cg_endo -74.99 -4.45 15.43 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.475 1.776 . . . . 0.0 110.99 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.565 ' O ' ' CD1' ' A' ' 17' ' ' TRP . . . 161.78 -50.07 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.55 ' CD ' ' N ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.94 78.51 2.86 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.463 1.77 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.588 ' CZ2' ' HB2' ' A' ' 80' ' ' LEU . 2.8 m95 -71.5 -25.7 62.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 108.013 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.473 ' CA ' ' HB3' ' A' ' 37' ' ' LYS . . . 103.57 30.87 5.1 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.524 1.14 . . . . 0.0 110.99 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.61 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 0.7 OUTLIER -150.2 141.97 23.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 0.779 . . . . 0.0 110.984 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.58 171.0 7.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.414 ' C ' ' NE2' ' A' ' 66' ' ' HIS . 40.6 mt -131.54 157.13 44.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -160.67 142.67 12.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.475 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 107.01 -156.76 15.87 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.532 1.145 . . . . 0.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 119.34 -162.44 13.69 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.2 ttmm -76.04 -49.45 17.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 0.762 . . . . 0.0 109.332 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -60.33 -20.33 58.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -100.98 -6.33 24.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 59.92 47.34 10.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.475 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 3.5 ptm -165.97 165.57 10.57 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 110.992 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 154.64 42.61 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.525 1.803 . . . . 0.0 110.996 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.7 mt -74.99 115.44 14.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -122.91 167.25 13.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.373 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 50.3 mm -78.38 103.63 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.16 . . . . 0.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -47.62 -54.41 11.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.001 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -159.89 175.95 12.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.997 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.481 HD11 ' CA ' ' A' ' 43' ' ' SER . 0.3 OUTLIER -117.3 167.91 10.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.26 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.473 ' HB3' ' CA ' ' A' ' 18' ' ' GLY . 35.3 tttt -117.32 129.78 56.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -41.85 127.58 3.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 38.72 56.4 2.07 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -104.86 160.45 15.38 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.12 -52.35 26.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 0.742 . . . . 0.0 109.286 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.477 ' CB ' ' HB3' ' A' ' 19' ' ' PHE . . . -45.71 -66.43 0.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.481 ' CA ' HD11 ' A' ' 36' ' ' LEU . 12.7 t -47.44 -46.54 26.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.021 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -55.39 -25.45 35.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.323 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 42' ' ' ALA . . . -88.04 11.24 16.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 13.4 m170 64.4 37.98 7.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.577 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 97.3 t -93.16 114.75 30.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.1 mtm180 -99.43 163.93 12.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 110.337 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.3 mt -69.61 135.91 27.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 105.54 -12.5 47.05 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.535 1.147 . . . . 0.0 110.966 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -55.17 131.43 45.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 0.754 . . . . 0.0 109.286 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 79.1 t -97.74 125.79 50.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.478 ' CG1' ' O ' ' A' ' 55' ' ' SER . 71.8 t -80.48 106.38 11.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 54.8 mt -72.38 -38.3 68.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.082 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.478 ' O ' ' CG1' ' A' ' 53' ' ' VAL . 9.4 p -141.29 170.9 14.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.999 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.459 ' CG1' HG12 ' A' ' 53' ' ' VAL . 90.3 mt -144.45 94.17 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.095 . . . . 0.0 109.338 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 75.26 42.06 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 72.89 9.31 75.29 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.3 mm -102.05 141.45 18.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 0.75 . . . . 0.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.02 119.48 14.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.027 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -93.99 24.86 3.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -90.94 82.7 5.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.339 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 131.12 -46.36 1.08 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.522 1.139 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 44.3 mtm -47.03 123.36 5.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 0.753 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 66' ' ' HIS . 16.1 p -76.23 171.36 14.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 110.387 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.414 ' NE2' ' C ' ' A' ' 21' ' ' LEU . 2.4 t-160 -39.95 -59.29 1.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.621 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.526 ' CD1' ' N ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -48.68 -61.5 2.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.526 ' N ' ' CD1' ' A' ' 67' ' ' LEU . 2.5 mt-10 -42.19 -53.5 4.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.118 . . . . 0.0 110.279 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.1 -47.28 85.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.441 1.088 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -58.91 -43.57 91.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.271 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.413 ' ND2' ' CD2' ' A' ' 67' ' ' LEU . 1.5 m-20 -57.15 -46.81 82.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.506 ' O ' ' CB ' ' A' ' 75' ' ' ALA . 14.5 mmmt -53.79 -56.6 16.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.0 mt -46.12 -53.49 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.25 -32.52 16.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.506 ' CB ' ' O ' ' A' ' 72' ' ' LYS . . . -58.08 -22.07 48.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.404 ' C ' ' O ' ' A' ' 75' ' ' ALA . 17.1 p -41.53 137.64 1.51 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 108.284 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 10.1 t -133.02 23.94 4.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.378 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 163.91 -53.28 0.29 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.482 1.114 . . . . 0.0 110.983 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.1 p -141.7 164.47 30.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 0.727 . . . . 0.0 110.042 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.588 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 13.7 tp -117.47 128.17 54.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -122.18 105.14 9.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.509 ' SD ' ' CD2' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -128.11 165.69 19.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.401 ' OG1' ' OG ' ' A' ' 55' ' ' SER . 4.2 m -114.45 146.95 40.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.394 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 39.1 mt -116.38 163.48 15.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -110.82 123.68 50.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.314 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -79.06 119.78 22.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.332 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -136.08 78.56 1.72 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -148.39 170.89 16.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 110.048 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . 63.51 127.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -131.6 165.58 23.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.13 . . . . 0.0 109.329 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 54.52 95.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -47.79 150.42 1.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.4 t -111.61 108.95 18.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.983 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.0 151.39 37.49 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.227 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 146.06 32.0 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.482 1.78 . . . . 0.0 110.978 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 11.4 p -84.43 147.64 5.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.155 . . . . 0.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -104.21 127.65 51.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.979 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.51 106.97 0.66 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.107 . . . . 0.0 109.993 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 116.15 -159.41 13.89 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.496 1.122 . . . . 0.0 111.021 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 155.34 42.77 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.475 1.777 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -107.75 131.18 54.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.006 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 9.4 m -113.17 136.74 52.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.014 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.478 1.111 . . . . 0.0 110.967 179.992 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.3 m -64.0 150.95 44.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 0.774 . . . . 0.0 110.008 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -105.24 -64.38 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.06 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.57 147.39 11.65 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -109.19 118.82 37.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 0.767 . . . . 0.0 109.965 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.2 p -177.82 173.69 1.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.995 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.32 144.21 3.99 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.469 1.105 . . . . 0.0 111.036 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.3 t -99.55 161.69 13.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 0.741 . . . . 0.0 109.964 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.459 ' CG2' ' N ' ' A' ' 10' ' ' SER . 2.4 p -129.73 166.34 27.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.459 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 42.8 t -138.24 119.06 14.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.997 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 20.7 mt -108.68 149.41 29.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.6 p -116.65 106.21 19.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 109.269 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -176.68 155.59 18.9 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.524 1.14 . . . . 0.0 111.021 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.524 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -74.97 -6.0 17.51 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.524 1.802 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.625 ' O ' ' CD1' ' A' ' 17' ' ' TRP . . . 161.37 -49.71 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.96 76.63 3.33 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.491 1.785 . . . . 0.0 111.008 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.625 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 2.6 m95 -70.86 -24.36 62.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 107.986 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.02 24.75 7.09 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.44 1.088 . . . . 0.0 111.026 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.589 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 1.0 OUTLIER -144.76 153.07 41.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 0.745 . . . . 0.0 111.03 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -117.67 175.62 5.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.264 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.413 ' O ' ' CE1' ' A' ' 66' ' ' HIS . 50.5 mt -136.53 147.51 47.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.408 ' NE2' ' HA ' ' A' ' 34' ' ' SER . 20.7 pt20 -143.5 148.64 36.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.247 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.479 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 105.64 -161.34 14.58 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 28' ' ' ASN . . . 127.36 166.31 12.08 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.64 -42.29 64.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 0.784 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -64.48 -31.46 72.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.313 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -86.72 -17.73 32.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 111.0 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 24' ' ' GLY . 4.9 t-20 73.12 42.48 0.44 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.479 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 4.1 ptm -161.29 164.77 18.01 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 156.37 42.95 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.517 1.799 . . . . 0.0 111.013 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 mt -75.38 111.05 10.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -117.51 168.73 10.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.397 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.404 HG22 ' CD2' ' A' ' 36' ' ' LEU . 19.7 mm -78.41 102.26 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.244 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.408 ' HA ' ' NE2' ' A' ' 22' ' ' GLN . 0.4 OUTLIER -50.47 -59.99 3.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.992 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -151.82 176.68 11.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 110.017 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.404 ' CD2' HG22 ' A' ' 33' ' ' ILE . 0.2 OUTLIER -133.87 147.89 51.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 109.344 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.93 133.3 35.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -44.43 119.01 1.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 58.79 43.4 96.54 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.525 1.14 . . . . 0.0 110.965 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -91.17 159.05 26.1 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 45' ' ' ALA . 0.1 OUTLIER -46.69 -64.84 0.67 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 0.776 . . . . 0.0 109.271 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -42.9 -49.34 5.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.319 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.5 t -55.59 -39.92 71.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.994 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 41' ' ' LYS . 0.5 OUTLIER -82.67 -14.26 54.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.261 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 41' ' ' LYS . . . -88.13 12.91 12.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 29.4 m-70 66.6 34.08 6.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.589 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 96.2 t -96.65 110.33 24.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.7 mtm180 -101.53 133.86 45.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.325 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.1 mt -42.16 134.61 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 108.14 -15.05 36.69 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.48 1.113 . . . . 0.0 110.993 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -56.81 127.77 33.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.769 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 72.5 t -93.24 133.18 35.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.409 HG11 ' CG1' ' A' ' 56' ' ' ILE . 22.6 t -86.01 102.21 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.092 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 41.5 mt -69.23 -41.22 77.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.2 p -139.22 166.35 24.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 110.003 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.445 ' CG2' ' HB3' ' A' ' 72' ' ' LYS . 74.2 mt -140.44 109.9 3.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 81' ' ' ASN . 1.1 t70 62.38 35.56 14.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 0.0 109.299 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 79.28 15.19 80.6 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.444 1.09 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.4 mm -108.97 139.52 31.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.476 0.75 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.04 124.12 22.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.979 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -97.87 29.11 3.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.341 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.88 43.44 1.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 110.28 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 157.53 44.67 0.02 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.482 1.113 . . . . 0.0 110.981 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 23.1 mtm -133.63 133.55 42.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 0.781 . . . . 0.0 111.034 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 55.5 p -79.41 161.02 26.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 110.394 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.413 ' CE1' ' O ' ' A' ' 21' ' ' LEU . 1.8 t-160 -46.96 -58.61 3.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.586 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 11.0 tp -46.72 -53.97 10.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.337 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -55.83 -58.4 8.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.283 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.9 -48.55 60.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.165 . . . . 0.0 109.319 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -55.91 -43.99 77.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.274 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.72 -50.41 72.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 75' ' ' ALA . 22.4 mmtm -46.58 -59.29 3.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 3.0 mt -42.85 -50.32 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.449 1.093 . . . . 0.0 109.353 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.413 ' C ' ' N ' ' A' ' 76' ' ' CYS . 0.0 OUTLIER -50.09 -41.64 48.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 72' ' ' LYS . . . -44.92 -26.53 0.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.413 ' N ' ' C ' ' A' ' 74' ' ' LYS . 21.2 p -41.26 123.03 1.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 108.251 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 7.2 t -105.91 -13.92 15.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.432 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -161.45 -49.59 0.02 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.553 1.158 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.3 p -137.45 161.73 35.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 0.744 . . . . 0.0 109.963 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.579 ' HB2' ' CH2' ' A' ' 17' ' ' TRP . 10.0 tp -105.87 137.87 43.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 57' ' ' ASP . 0.6 OUTLIER -129.91 104.64 7.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 33.5 mtm -140.71 147.09 38.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.157 . . . . 0.0 111.009 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.0 m -93.95 149.62 21.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.403 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 48.1 mt -117.63 163.38 16.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -112.39 150.58 30.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -86.51 153.68 21.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -159.44 80.44 0.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.74 88.7 2.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.138 . . . . 0.0 110.0 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -173.52 94.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.331 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -174.51 124.33 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 109.308 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 65.41 -169.3 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.404 ' CD ' ' N ' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -141.68 134.32 28.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -126.29 143.36 51.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.948 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -115.53 153.47 47.75 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 108.9 2.82 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.489 1.783 . . . . 0.0 110.969 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 11.9 m -74.05 106.23 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.43 102.2 7.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.459 1.1 . . . . 0.0 110.018 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.9 t -166.97 108.1 0.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.002 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -141.09 157.29 25.95 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.517 1.135 . . . . 0.0 110.976 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 178.76 6.84 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.463 1.77 . . . . 0.0 111.006 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -87.94 150.4 23.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.046 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -94.51 113.96 25.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.056 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.49 1.119 . . . . 0.0 111.034 -179.982 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 43.8 t -93.57 162.92 13.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 0.742 . . . . 0.0 110.017 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.455 ' CG2' ' N ' ' A' ' 10' ' ' SER . 0.8 OUTLIER -138.5 162.66 29.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.455 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 39.4 t -131.94 136.42 47.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.017 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.481 ' HB2' ' CE3' ' A' ' 17' ' ' TRP . 7.0 mt -120.3 153.38 36.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.444 ' O ' HG13 ' A' ' 12' ' ' VAL . 7.4 p -117.56 106.61 20.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -178.05 153.56 13.31 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.462 1.101 . . . . 0.0 110.981 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.709 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 18.1 Cg_endo -75.01 -6.19 17.73 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.491 1.785 . . . . 0.0 110.997 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.72 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . . . 161.94 -50.36 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.72 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.01 77.41 3.14 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.538 1.81 . . . . 0.0 110.975 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.63 ' CZ2' HD13 ' A' ' 80' ' ' LEU . 1.8 m95 -71.02 -24.04 62.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 108.021 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.58 -16.07 24.16 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.522 1.138 . . . . 0.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.521 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 1.2 p90 -105.28 156.81 17.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 0.779 . . . . 0.0 111.01 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.437 ' O ' HD23 ' A' ' 21' ' ' LEU . 4.8 mmt180 -122.29 174.09 7.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.293 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.667 HD11 HD11 ' A' ' 73' ' ' ILE . 15.2 mt -122.64 145.92 47.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -146.1 136.88 24.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.486 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 106.61 -158.32 15.37 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.526 1.141 . . . . 0.0 110.999 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 124.99 174.81 14.06 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.1 -44.43 96.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 0.742 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -63.75 -22.96 67.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.464 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 11.2 m-85 -92.73 -20.29 20.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.998 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.464 ' CB ' ' O ' ' A' ' 27' ' ' PHE . 9.6 t-20 80.46 33.12 0.16 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.486 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 4.1 ptm -156.4 164.76 20.39 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 111.004 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 156.78 42.9 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.499 1.789 . . . . 0.0 110.983 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.4 mt -75.25 115.75 15.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -123.88 170.44 10.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 110.399 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 21.2 mm -78.58 100.92 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.5 t -53.16 -67.15 0.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.015 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.425 ' HA ' HD11 ' A' ' 49' ' ' ILE . 0.6 OUTLIER -145.09 177.59 8.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.992 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.917 HD21 ' HB3' ' A' ' 42' ' ' ALA . 0.3 OUTLIER -148.28 161.17 42.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.2 tttp -95.71 159.51 14.95 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -55.01 119.67 5.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 40.47 53.59 3.49 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.501 1.126 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -89.25 175.2 42.65 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.9 -64.03 0.79 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 0.752 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.917 ' HB3' HD21 ' A' ' 36' ' ' LEU . . . -45.29 -46.38 12.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 18.3 t -62.85 -41.04 99.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.975 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -64.06 -22.27 66.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 110.293 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -93.77 10.78 31.63 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 9.8 m170 62.01 51.44 3.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.436 1.085 . . . . 0.0 109.589 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.61 HG13 ' OD2' ' A' ' 51' ' ' ASP . 76.7 t -105.77 117.95 52.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 -102.43 157.86 16.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.305 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.425 HD11 ' HA ' ' A' ' 35' ' ' SER . 2.2 mt -65.21 130.21 30.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 116.41 -15.85 14.92 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.543 1.152 . . . . 0.0 110.953 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.61 ' OD2' HG13 ' A' ' 47' ' ' VAL . 93.2 m-20 -57.99 129.13 40.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 0.773 . . . . 0.0 109.271 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 71.1 t -95.62 131.54 42.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.449 HG11 ' CG1' ' A' ' 56' ' ' ILE . 37.1 t -85.62 107.71 16.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 52.8 mt -74.17 -31.77 62.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.437 ' O ' ' CG1' ' A' ' 53' ' ' VAL . 1.8 p -146.03 158.6 43.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.039 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.757 ' CD1' ' HB1' ' A' ' 69' ' ' ALA . 11.5 mt -133.91 106.15 8.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.165 . . . . 0.0 109.297 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 81' ' ' ASN . 24.4 t0 68.04 37.01 3.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.122 . . . . 0.0 109.344 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 80.61 -2.12 79.91 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.545 1.153 . . . . 0.0 111.058 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.5 mm -94.72 152.43 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.518 0.775 . . . . 0.0 109.346 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.36 121.64 25.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.999 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -98.81 36.52 1.66 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -87.68 -51.49 5.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.335 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -109.03 47.84 1.0 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.552 1.157 . . . . 0.0 110.978 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 14.0 mtm -128.46 130.94 48.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 0.766 . . . . 0.0 111.001 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.3 p -73.63 171.38 13.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 110.409 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -53.69 -53.38 52.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.647 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 1.01 HD13 ' N ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -53.08 -48.02 68.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 1.01 ' N ' HD13 ' A' ' 67' ' ' LEU . 0.9 OUTLIER -49.81 -68.37 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 110.291 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.757 ' HB1' ' CD1' ' A' ' 56' ' ' ILE . . . -45.33 -38.36 5.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -68.15 -37.79 81.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 110.322 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.516 ' OD1' HD21 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -59.9 -48.26 82.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.52 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 35.3 mmtt -58.96 -53.57 56.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.239 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.667 HD11 HD11 ' A' ' 21' ' ' LEU . 17.1 mt -48.86 -44.01 14.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.118 . . . . 0.0 109.286 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -63.22 -33.99 76.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' A' ' 72' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.6 p . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.63 HD13 ' CZ2' ' A' ' 17' ' ' TRP . 8.9 tp -113.41 118.94 35.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 57' ' ' ASP . 1.3 m-80 -110.04 104.89 13.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.469 ' HE1' ' CZ ' ' A' ' 19' ' ' PHE . 33.7 mtm -134.73 159.6 40.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 111.017 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.8 m -109.9 147.48 33.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 110.428 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 40.0 mt -113.43 166.17 11.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.086 . . . . 0.0 109.362 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -114.2 131.45 56.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.295 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.345 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 82.9 p -93.76 166.74 12.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 0.774 . . . . 0.0 109.993 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.411 ' CG2' ' N ' ' A' ' 10' ' ' SER . 0.5 OUTLIER -143.67 159.31 16.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.411 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 48.2 t -134.26 124.03 25.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 110.001 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 52.5 mt -110.52 148.96 31.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.9 p -115.75 106.57 20.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -174.99 156.59 22.88 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.529 1.143 . . . . 0.0 110.981 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.703 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -75.0 -6.03 17.55 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.463 1.77 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.735 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . . . 162.14 -50.38 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.735 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.99 78.35 2.91 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.519 1.8 . . . . 0.0 111.035 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.624 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 1.8 m95 -72.38 -25.05 61.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 107.989 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.468 ' CA ' ' HB3' ' A' ' 37' ' ' LYS . . . 106.85 27.28 5.48 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.596 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 0.9 OUTLIER -147.67 150.48 34.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 110.959 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.402 ' CB ' ' OG ' ' A' ' 34' ' ' SER . 5.2 mtt180 -116.91 171.72 7.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.309 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.449 ' O ' ' CE1' ' A' ' 66' ' ' HIS . 80.8 mt -130.19 153.75 48.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.553 1.158 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -154.56 144.05 21.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.28 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.473 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 107.2 -160.27 14.22 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.52 1.138 . . . . 0.0 110.951 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 127.49 -179.37 16.47 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.9 ttpp -70.77 -27.57 64.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 0.768 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -76.0 -24.33 55.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.437 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 9.8 m-85 -97.43 -17.61 19.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.972 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.437 ' CB ' ' O ' ' A' ' 27' ' ' PHE . 2.4 t-20 77.12 44.57 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.473 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 4.1 ptm -162.9 164.48 16.22 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 111.043 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 156.64 43.03 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.45 1.763 . . . . 0.0 111.035 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 mt -75.5 110.25 9.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -116.23 168.01 10.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.393 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.456 HG21 HD23 ' A' ' 36' ' ' LEU . 24.8 mm -78.56 99.25 2.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.417 ' HB3' ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -43.95 -56.51 3.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 109.99 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.08 177.12 11.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 110.069 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.755 HD12 ' HB3' ' A' ' 43' ' ' SER . 0.2 OUTLIER -121.67 167.72 12.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.25 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.468 ' HB3' ' CA ' ' A' ' 18' ' ' GLY . 8.7 tttp -116.01 137.76 51.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.13 126.13 13.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 42.0 56.64 3.78 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.536 1.147 . . . . 0.0 111.009 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -105.95 161.61 14.32 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.52 -48.8 56.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 0.785 . . . . 0.0 109.35 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.465 ' CB ' ' HB3' ' A' ' 19' ' ' PHE . . . -48.99 -65.46 0.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.755 ' HB3' HD12 ' A' ' 36' ' ' LEU . 14.2 p -47.04 -47.21 22.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.008 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -55.45 -27.28 47.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 110.299 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 42' ' ' ALA . . . -87.48 11.05 15.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 63.78 43.18 5.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.571 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.412 HG23 ' HB3' ' A' ' 45' ' ' ALA . 61.1 t -96.57 113.93 32.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.3 mtm180 -102.59 164.42 11.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.2 mt -70.69 134.56 29.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.333 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 108.15 -17.09 35.11 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -54.43 127.72 28.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 0.768 . . . . 0.0 109.335 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 73.3 t -94.7 132.97 37.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.573 1.171 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.499 HG11 ' CG1' ' A' ' 56' ' ' ILE . 47.1 t -87.82 108.16 18.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.253 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.539 HD21 ' HB2' ' A' ' 85' ' ' GLN . 20.4 mt -73.79 -36.44 65.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.449 ' O ' ' CG1' ' A' ' 53' ' ' VAL . 4.8 p -143.85 167.89 21.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.025 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.561 ' CD1' ' HB1' ' A' ' 69' ' ' ALA . 54.4 mt -143.06 96.27 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 81' ' ' ASN . 11.1 t0 71.31 44.51 0.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 73.75 1.93 59.77 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.451 1.094 . . . . 0.0 111.002 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.569 HG21 ' HE2' ' A' ' 72' ' ' LYS . 16.8 mm -92.87 140.44 16.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 0.756 . . . . 0.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.27 117.34 14.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.992 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -92.67 31.13 1.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -93.5 92.11 7.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 110.278 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 92.54 39.09 5.4 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -110.06 136.04 49.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 0.764 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.1 p -75.65 156.65 34.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.413 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.449 ' CE1' ' O ' ' A' ' 21' ' ' LEU . 2.0 t-160 -50.13 -51.66 41.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.619 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.4 tp -50.97 -53.14 35.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -49.22 -70.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 110.315 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.561 ' HB1' ' CD1' ' A' ' 56' ' ' ILE . . . -43.32 -49.71 6.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.444 ' HA ' HD12 ' A' ' 73' ' ' ILE . 14.4 mm100 -54.44 -44.97 72.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -53.58 -47.0 70.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.097 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.569 ' HE2' HG21 ' A' ' 59' ' ' ILE . 40.0 mmtm -56.55 -44.95 81.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.597 HG12 HD21 ' A' ' 80' ' ' LEU . 4.8 mt -59.56 -29.21 41.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.1 mttp -79.23 -15.38 58.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.325 -179.984 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.0 p . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.597 HD21 HG12 ' A' ' 73' ' ' ILE . 11.0 tp -116.03 116.37 27.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.098 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.406 ' O ' ' N ' ' A' ' 57' ' ' ASP . 1.2 m-80 -109.9 104.71 13.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 41.2 mtm -133.32 162.18 32.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.8 m -112.57 146.22 38.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.43 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 28.7 mt -113.37 166.91 11.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.539 ' HB2' HD21 ' A' ' 54' ' ' LEU . 0.3 OUTLIER -116.22 139.64 50.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 110.266 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.427 ' N ' ' HG2' ' A' ' 85' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 110.276 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.0 m -90.29 156.35 18.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 0.765 . . . . 0.0 109.977 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.543 ' CG2' ' HB1' ' A' ' 45' ' ' ALA . 1.7 p -130.85 165.63 30.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.482 ' N ' HG22 ' A' ' 9' ' ' VAL . 46.5 t -138.03 122.41 18.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.997 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.444 HD12 ' HE2' ' A' ' 19' ' ' PHE . 32.1 mt -111.27 150.29 29.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 76.7 t -117.31 106.86 20.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -175.3 154.83 18.94 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.507 1.13 . . . . 0.0 110.996 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.719 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 18.0 Cg_endo -75.08 -5.27 16.55 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.464 1.771 . . . . 0.0 110.974 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.73 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . . . 161.52 -50.19 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.73 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -74.99 76.88 3.27 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.52 1.8 . . . . 0.0 110.961 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.606 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 2.7 m95 -70.59 -24.83 62.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 108.018 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.445 ' CA ' ' HB3' ' A' ' 37' ' ' LYS . . . 103.93 30.15 5.25 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.512 1.132 . . . . 0.0 111.002 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.58 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 1.2 p90 -151.69 149.76 29.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 0.756 . . . . 0.0 111.048 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.42 ' O ' HD23 ' A' ' 21' ' ' LEU . 6.4 mmt85 -112.09 175.37 5.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.516 ' O ' ' CE1' ' A' ' 66' ' ' HIS . 64.3 mt -137.38 145.25 43.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.0 pt20 -146.01 150.91 36.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.331 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.473 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 101.61 -159.86 18.29 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 122.34 -175.97 16.44 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.69 -44.68 89.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 0.782 . . . . 0.0 109.351 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -63.82 -24.31 67.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -96.33 -3.58 43.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.4 m120 61.81 36.08 16.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.324 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.473 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 3.6 ptm -157.0 164.17 22.6 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 156.53 43.28 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.454 1.765 . . . . 0.0 111.038 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 mt -75.32 114.99 14.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -123.24 168.4 12.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 110.439 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.61 HG21 ' CD2' ' A' ' 36' ' ' LEU . 50.1 mm -78.16 98.49 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.7 t -48.49 -62.37 1.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.994 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -145.59 173.66 11.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.997 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.839 HD12 ' HB2' ' A' ' 43' ' ' SER . 0.4 OUTLIER -121.28 168.35 11.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 109.263 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.445 ' HB3' ' CA ' ' A' ' 18' ' ' GLY . 13.9 tttp -116.65 137.66 52.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.36 125.13 13.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 43.88 53.69 6.25 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.565 1.165 . . . . 0.0 110.993 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -104.89 153.7 17.36 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -42.92 -57.27 2.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 0.78 . . . . 0.0 109.258 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.529 ' HB2' ' HD2' ' A' ' 19' ' ' PHE . . . -42.42 -68.01 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.346 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.839 ' HB2' HD12 ' A' ' 36' ' ' LEU . 1.9 t -47.94 -48.65 31.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.0 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -61.48 -20.86 63.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.323 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.543 ' HB1' ' CG2' ' A' ' 9' ' ' VAL . . . -94.2 20.76 7.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.411 ' HA ' ' NH2' ' A' ' 48' ' ' ARG . 21.7 m-70 58.35 50.66 9.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.102 . . . . 0.0 109.556 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.454 HG12 HD21 ' A' ' 36' ' ' LEU . 36.3 t -108.41 99.18 8.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.457 ' NH2' ' O ' ' A' ' 43' ' ' SER . 8.9 mmp_? -89.73 166.85 13.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.305 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.2 mt -75.23 134.85 28.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 106.1 -14.47 44.33 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.458 1.099 . . . . 0.0 110.99 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -56.21 123.99 16.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 0.771 . . . . 0.0 109.274 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 79.7 t -90.29 135.17 27.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.276 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.445 HG11 ' CG1' ' A' ' 56' ' ' ILE . 67.6 t -89.22 99.81 9.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.536 HD12 ' O ' ' A' ' 84' ' ' LEU . 23.4 mt -62.82 -47.09 84.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.8 p -137.31 173.79 11.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.019 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.445 ' CG1' HG11 ' A' ' 53' ' ' VAL . 91.8 mt -144.76 85.93 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 81' ' ' ASN . 11.8 t0 74.06 56.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.336 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 63.86 11.41 43.66 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.477 1.111 . . . . 0.0 111.026 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.4 mm -107.7 136.68 42.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 0.761 . . . . 0.0 109.26 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.39 127.48 32.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.019 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -103.24 25.91 8.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.345 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -83.06 -48.48 10.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.324 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -109.67 48.57 0.92 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.526 1.141 . . . . 0.0 111.016 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 10.9 mtm -130.97 134.99 47.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 0.749 . . . . 0.0 111.0 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 74.5 p -84.23 164.98 18.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.394 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.516 ' CE1' ' O ' ' A' ' 21' ' ' LEU . 2.0 t-160 -45.75 -52.05 11.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.638 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 21.3 tp -56.15 -52.98 62.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.137 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -50.59 -56.72 10.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.01 -49.11 76.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -56.11 -43.86 78.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 110.264 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -51.2 -52.86 40.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.544 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 0.8 OUTLIER -50.21 -62.1 1.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 4.2 mt -46.12 -52.61 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.326 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt -50.44 -37.57 38.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.544 ' HB3' ' O ' ' A' ' 72' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 109.327 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.58 ' HB2' ' CH2' ' A' ' 17' ' ' TRP . 23.3 tp -116.16 142.54 46.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 57' ' ' ASP . 0.6 OUTLIER -135.62 107.31 6.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.408 ' CE ' HD21 ' A' ' 80' ' ' LEU . 46.5 mtm -146.08 148.28 32.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.42 1.075 . . . . 0.0 111.039 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.1 m -95.67 147.18 23.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.447 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.536 ' O ' HD12 ' A' ' 54' ' ' LEU . 53.3 mt -115.89 165.68 12.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 109.35 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -115.28 125.84 53.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.271 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 110.329 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.3 p -96.09 154.56 17.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 0.792 . . . . 0.0 109.981 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.47 ' CG2' ' N ' ' A' ' 10' ' ' SER . 0.7 OUTLIER -122.47 162.78 21.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.47 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 47.6 t -132.94 116.03 15.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.014 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.407 ' HB2' ' CE3' ' A' ' 17' ' ' TRP . 12.1 mt -104.34 149.59 25.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.142 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.5 p -117.17 107.13 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -175.35 155.85 21.02 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.539 1.149 . . . . 0.0 110.984 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.712 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.01 -6.28 17.86 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.512 1.796 . . . . 0.0 110.986 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.73 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . . . 162.07 -50.29 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.73 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.99 76.22 3.46 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.566 1.824 . . . . 0.0 111.05 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.618 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 2.3 m95 -69.87 -25.38 63.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 108.06 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.473 ' CA ' ' HB3' ' A' ' 37' ' ' LYS . . . 106.08 27.96 5.43 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.596 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 1.1 p90 -147.93 145.32 28.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 0.793 . . . . 0.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.9 mmt180 -108.64 173.23 6.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.318 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.496 HD23 HD13 ' A' ' 33' ' ' ILE . 94.4 mt -131.41 157.17 44.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -157.66 149.69 22.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.467 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 99.74 -159.68 19.64 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 125.06 -168.24 17.2 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.611 ' HB3' HG22 ' A' ' 65' ' ' THR . 0.2 OUTLIER -70.75 -54.41 11.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 0.755 . . . . 0.0 109.324 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -59.53 -17.58 33.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -96.51 -16.03 21.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 67.65 41.44 2.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.467 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 3.8 ptm -161.86 165.14 16.68 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 156.65 42.8 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.505 1.792 . . . . 0.0 110.992 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.7 mt -75.16 117.54 17.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -125.84 167.76 14.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.403 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.496 HD13 HD23 ' A' ' 21' ' ' LEU . 37.6 mm -78.68 103.77 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.415 ' HB3' ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -47.65 -59.45 3.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.963 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.97 176.45 12.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.085 . . . . 0.0 110.05 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.819 HD12 ' HB3' ' A' ' 43' ' ' SER . 0.2 OUTLIER -120.45 153.0 37.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.473 ' HB3' ' CA ' ' A' ' 18' ' ' GLY . 0.0 OUTLIER -100.52 138.72 37.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -48.64 123.73 7.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 41.7 55.63 3.87 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.464 1.102 . . . . 0.0 111.04 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -103.37 163.04 15.7 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.67 -52.59 13.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 0.789 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.508 ' HB2' ' HB3' ' A' ' 19' ' ' PHE . . . -46.77 -64.0 0.88 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.819 ' HB3' HD12 ' A' ' 36' ' ' LEU . 83.3 p -47.26 -48.3 24.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.983 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -56.98 -24.07 50.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 110.286 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 42' ' ' ALA . . . -91.5 18.9 6.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 53.03 38.96 28.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.6 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 23.0 t -90.47 115.6 30.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 5.2 mtm180 -99.35 155.05 17.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 28.4 mm -63.57 141.53 18.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.137 . . . . 0.0 109.323 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 101.79 -13.14 57.87 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.506 1.129 . . . . 0.0 111.045 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -55.96 126.85 27.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 0.786 . . . . 0.0 109.277 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 71.1 t -93.96 133.59 34.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.474 ' CG1' ' O ' ' A' ' 55' ' ' SER . 64.4 t -87.44 103.8 13.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 61.7 mt -70.84 -40.97 72.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.322 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.474 ' O ' ' CG1' ' A' ' 53' ' ' VAL . 12.7 p -135.85 170.31 16.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.987 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.468 ' CG1' HG11 ' A' ' 53' ' ' VAL . 63.5 mt -145.36 120.62 3.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 81' ' ' ASN . 43.1 t0 59.3 27.54 16.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 83.13 7.86 86.35 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.495 1.122 . . . . 0.0 110.961 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.2 mt -106.01 154.82 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 0.789 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.8 t -68.83 123.82 22.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 110.003 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -106.58 34.05 3.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -99.83 81.16 2.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.326 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 135.54 -47.3 0.99 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.518 1.136 . . . . 0.0 111.037 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 30.8 mtm -39.58 127.96 1.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 0.747 . . . . 0.0 111.003 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.611 HG22 ' HB3' ' A' ' 25' ' ' LYS . 69.3 p -71.88 171.17 12.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.414 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -52.2 -59.78 3.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.556 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.9 tp -49.72 -54.95 15.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.25 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -50.28 -59.06 4.33 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 0.0 110.255 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.421 ' O ' HD12 ' A' ' 73' ' ' ILE . . . -51.66 -51.28 57.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.26 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -53.48 -44.64 69.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -50.8 -53.29 33.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.5 mmmm -51.25 -62.1 1.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.429 ' HA ' HD11 ' A' ' 80' ' ' LEU . 4.2 mt -47.36 -39.95 6.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.08 -42.7 91.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.262 -179.959 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.9 p . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.58 ' HB2' ' CH2' ' A' ' 17' ' ' TRP . 10.8 tp -122.08 119.04 30.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' A' ' 57' ' ' ASP . 1.2 m-80 -114.08 105.06 12.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.431 1.082 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 39.0 mtm -139.29 155.76 47.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 110.976 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.413 ' O ' HD23 ' A' ' 84' ' ' LEU . 16.6 m -102.7 150.67 23.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.427 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.413 HD23 ' O ' ' A' ' 83' ' ' THR . 58.4 mt -119.93 161.94 20.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -110.56 119.74 40.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 110.275 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 110.304 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.4 p -101.48 152.92 20.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 0.78 . . . . 0.0 110.028 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.474 ' CG2' ' N ' ' A' ' 10' ' ' SER . 1.7 p -122.41 165.26 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.474 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 41.6 t -131.25 124.89 31.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.004 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 15.9 mt -111.95 148.82 32.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.1 p -116.5 106.43 20.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -177.38 154.19 15.09 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.525 1.14 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.709 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.0 -5.5 16.87 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.522 1.801 . . . . 0.0 110.951 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.709 ' HB2' ' O ' ' A' ' 14' ' ' PRO . . . 161.51 -50.05 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.418 1.074 . . . . 0.0 109.355 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.707 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -75.0 77.72 3.06 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.524 1.802 . . . . 0.0 111.01 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.614 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 2.5 m95 -71.72 -24.22 61.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 108.002 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 108.7 -6.86 33.5 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.497 1.123 . . . . 0.0 111.028 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.583 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 1.4 p90 -109.37 151.6 26.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 0.794 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.457 ' CB ' ' HB3' ' A' ' 34' ' ' SER . 0.0 OUTLIER -115.19 175.4 5.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.329 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.515 ' CD1' HD11 ' A' ' 73' ' ' ILE . 90.2 mt -137.38 147.33 45.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 22.0 pt20 -146.63 147.28 30.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.311 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.486 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 103.66 -164.95 15.38 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.519 1.137 . . . . 0.0 110.989 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 135.81 179.24 16.41 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.4 ttpt -66.67 -42.46 86.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 0.774 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -69.72 -17.46 63.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.496 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 11.3 m-85 -93.99 -25.76 17.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.496 ' CB ' ' O ' ' A' ' 27' ' ' PHE . 2.9 t-20 81.61 37.65 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.107 . . . . 0.0 109.277 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.486 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 5.4 ptm -159.82 164.02 21.24 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 156.99 42.78 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.492 1.785 . . . . 0.0 110.986 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 mt -75.65 108.04 8.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.271 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -114.29 167.55 10.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.376 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.527 HG21 ' CD2' ' A' ' 36' ' ' LEU . 49.2 mm -78.55 98.67 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.257 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.457 ' HB3' ' CB ' ' A' ' 20' ' ' ARG . 1.0 OUTLIER -44.36 -57.46 3.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.977 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.672 ' HA ' HD11 ' A' ' 49' ' ' ILE . 0.6 OUTLIER -158.46 179.33 9.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.992 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.744 HD11 ' HB3' ' A' ' 42' ' ' ALA . 0.4 OUTLIER -127.45 167.85 15.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 0.0 109.283 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -115.1 135.0 54.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.096 . . . . 0.0 109.329 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.7 p-10 -40.94 117.81 0.9 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 109.265 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 51.47 43.17 52.11 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.479 1.112 . . . . 0.0 110.951 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 37' ' ' LYS . . . -84.86 158.82 33.79 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.19 -67.38 0.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 0.746 . . . . 0.0 109.343 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.744 ' HB3' HD11 ' A' ' 36' ' ' LEU . . . -40.42 -56.95 1.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 14.3 t -52.32 -46.01 65.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.011 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -59.27 -22.5 61.25 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.406 ' CB ' HG21 ' A' ' 9' ' ' VAL . . . -93.21 13.63 20.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 4.8 m80 65.54 44.36 3.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.615 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 93.6 t -100.51 113.03 35.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.3 mtm180 -101.24 160.71 14.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.672 HD11 ' HA ' ' A' ' 35' ' ' SER . 5.9 mt -64.97 141.76 17.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 103.45 -17.45 50.67 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.474 1.109 . . . . 0.0 110.989 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.42 ' HB2' ' CG1' ' A' ' 33' ' ' ILE . 37.8 m-20 -53.85 127.39 25.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 0.786 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 76.9 t -91.04 130.0 40.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.349 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.452 HG11 ' CG1' ' A' ' 56' ' ' ILE . 48.3 t -85.25 101.44 9.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 34.8 mt -66.96 -40.81 87.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.3 p -139.41 165.99 25.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.993 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.471 HG22 ' O ' ' A' ' 56' ' ' ILE . 30.7 mt -138.77 93.53 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 81' ' ' ASN . 6.0 t0 74.66 46.5 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.262 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.7 9.31 61.98 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.445 1.091 . . . . 0.0 110.962 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.7 mm -107.48 142.77 19.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.556 0.798 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.97 123.47 22.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.088 . . . . 0.0 109.959 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -95.75 26.57 3.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -91.18 82.95 5.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.268 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 127.48 -47.8 1.0 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.534 1.146 . . . . 0.0 111.034 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 22.2 mtm -39.0 124.46 1.43 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 0.779 . . . . 0.0 111.016 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.4 p -70.65 164.97 23.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.388 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -48.31 -57.57 5.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.601 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.0 tp -48.86 -57.12 6.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -51.64 -59.78 3.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.432 ' HB1' ' CD1' ' A' ' 56' ' ' ILE . . . -48.76 -46.22 40.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.581 ' HA ' HD12 ' A' ' 73' ' ' ILE . 10.8 mm-40 -62.82 -34.54 77.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.6 -50.94 71.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.575 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 10.0 mmtt -51.02 -48.55 61.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.581 HD12 ' HA ' ' A' ' 70' ' ' GLN . 5.3 mt -47.51 -42.3 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -65.18 -33.55 76.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.575 ' HB3' ' O ' ' A' ' 72' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.7 p . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.592 ' HB2' ' CH2' ' A' ' 17' ' ' TRP . 11.2 tp -111.08 142.03 43.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.439 ' O ' ' N ' ' A' ' 57' ' ' ASP . 0.5 OUTLIER -131.03 104.67 7.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.4 ' HE1' ' CZ ' ' A' ' 19' ' ' PHE . 29.0 mtm -139.54 137.17 35.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.8 m -83.34 147.93 27.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.386 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 53.3 mt -118.02 162.23 18.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.423 ' HG2' ' N ' ' A' ' 86' ' ' ARG . 0.2 OUTLIER -117.41 143.89 45.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.423 ' N ' ' HG2' ' A' ' 85' ' ' GLN . 2.0 mpt_? . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 110.291 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.8 p -100.16 148.33 24.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 0.786 . . . . 0.0 109.958 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.468 ' CG2' ' N ' ' A' ' 10' ' ' SER . 1.5 p -117.31 164.52 13.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.468 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 26.3 t -135.67 126.3 27.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.005 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.439 HD12 ' CE2' ' A' ' 19' ' ' PHE . 18.9 mt -112.27 151.35 29.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.108 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.621 HG13 ' HE2' ' A' ' 41' ' ' LYS . 7.4 p -117.04 106.44 20.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -177.04 156.59 20.72 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.493 1.121 . . . . 0.0 111.031 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.712 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.01 -6.01 17.51 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.546 1.814 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.712 ' HB2' ' O ' ' A' ' 14' ' ' PRO . . . 161.89 -50.22 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.705 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.01 78.11 2.98 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.482 1.78 . . . . 0.0 111.026 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.613 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 1.8 m95 -72.17 -23.5 61.29 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 113.63 -18.37 20.03 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.564 1.165 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.539 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 1.1 p90 -105.15 158.62 16.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 0.788 . . . . 0.0 110.999 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -126.44 171.12 11.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.683 HD11 HD11 ' A' ' 73' ' ' ILE . 59.6 mt -117.07 160.99 20.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -154.0 146.74 24.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 110.258 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.473 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 97.36 -160.01 21.24 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.497 1.123 . . . . 0.0 111.053 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 28' ' ' ASN . . . 130.25 172.66 13.19 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.7 ttpt -62.03 -47.11 86.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 0.77 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -64.51 -19.81 65.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.493 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 6.1 m-85 -93.98 -28.69 15.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.981 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' A' ' 27' ' ' PHE . 2.1 t-20 81.03 56.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.473 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 3.6 ptm -176.13 166.54 1.66 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 111.013 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 152.97 41.51 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.492 1.785 . . . . 0.0 110.99 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.405 ' O ' ' HA ' ' A' ' 52' ' ' VAL . 4.3 mt -74.65 115.42 14.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -124.46 173.19 8.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.377 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 25.3 mm -78.64 111.42 15.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.406 ' HB3' ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -58.75 -59.91 4.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.99 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.403 ' HA ' HD11 ' A' ' 49' ' ' ILE . 0.5 OUTLIER -155.58 -176.96 6.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.979 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.998 HD21 ' HB3' ' A' ' 42' ' ' ALA . 0.4 OUTLIER -150.49 159.56 44.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -95.54 145.46 25.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -47.52 112.18 0.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 50.64 44.54 47.43 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.51 1.131 . . . . 0.0 110.976 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.83 -149.72 0.59 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.621 ' HE2' HG13 ' A' ' 12' ' ' VAL . 1.1 mttp -86.98 -42.2 13.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 109.321 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.998 ' HB3' HD21 ' A' ' 36' ' ' LEU . . . -62.44 -41.54 98.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 32.0 t -57.97 -43.13 86.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.026 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -67.62 -23.38 65.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 110.294 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.438 ' HB1' ' CG2' ' A' ' 9' ' ' VAL . . . -89.26 13.72 12.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.439 ' O ' ' NH1' ' A' ' 48' ' ' ARG . 6.5 m80 59.2 45.89 13.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.634 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 96.2 t -107.15 122.52 61.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.439 ' NH1' ' O ' ' A' ' 46' ' ' HIS . 0.0 OUTLIER -109.65 162.63 14.24 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 110.304 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.403 HD11 ' HA ' ' A' ' 35' ' ' SER . 3.1 mt -70.48 134.23 30.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 111.79 -14.04 26.95 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.539 1.15 . . . . 0.0 111.019 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -60.09 129.44 41.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 0.76 . . . . 0.0 109.252 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.405 ' HA ' ' O ' ' A' ' 31' ' ' LEU . 79.8 t -94.01 128.4 45.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.444 HG11 ' CG1' ' A' ' 56' ' ' ILE . 40.8 t -82.7 104.33 11.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 60.0 mt -70.75 -36.22 73.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.4 p -144.06 163.44 33.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.009 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.584 ' CD1' ' HB1' ' A' ' 69' ' ' ALA . 48.0 mt -136.58 90.49 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.576 1.173 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 18.7 t0 71.64 49.76 0.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.28 10.17 62.15 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.571 1.169 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.594 HG21 ' HE2' ' A' ' 72' ' ' LYS . 9.3 mm -105.54 133.66 49.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 0.77 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.39 121.49 16.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.992 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -91.75 21.89 4.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.335 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -89.35 101.24 13.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 106.89 -41.55 2.16 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 21.2 mtm -45.79 132.38 8.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 0.742 . . . . 0.0 110.982 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.9 p -74.73 171.44 13.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.123 . . . . 0.0 110.413 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -54.59 -56.93 13.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.582 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 1.016 HD13 ' N ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -48.42 -50.79 29.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 1.016 ' N ' HD13 ' A' ' 67' ' ' LEU . 1.0 OUTLIER -49.55 -65.12 0.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.311 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.584 ' HB1' ' CD1' ' A' ' 56' ' ' ILE . . . -48.11 -38.28 17.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -68.93 -37.04 78.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.323 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.506 ' OD1' HD21 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -58.72 -48.24 81.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.594 ' HE2' HG21 ' A' ' 59' ' ' ILE . 33.6 mmtm -58.08 -49.64 76.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.694 HG12 HD21 ' A' ' 80' ' ' LEU . 5.8 mt -49.85 -42.44 18.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -63.97 -37.08 86.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 72' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.1 p . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.694 HD21 HG12 ' A' ' 73' ' ' ILE . 12.7 tp -111.82 115.16 28.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -110.12 104.95 13.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.568 ' HE2' HD23 ' A' ' 80' ' ' LEU . 28.9 mtm -134.16 151.27 51.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 111.041 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.4 m -97.73 145.51 26.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 110.444 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 32.4 mt -113.85 162.72 15.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -112.3 129.1 56.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 40.9 t -96.3 161.59 13.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 0.759 . . . . 0.0 110.001 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.481 HG23 ' HB1' ' A' ' 45' ' ' ALA . 1.2 p -130.96 163.79 35.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.472 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 26.8 t -137.24 123.89 21.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.019 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.438 HD12 ' HE2' ' A' ' 19' ' ' PHE . 31.7 mt -115.31 151.64 34.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.237 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 74.7 t -117.76 106.67 20.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -176.51 155.01 17.85 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.477 1.111 . . . . 0.0 111.027 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.713 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.98 -6.34 17.94 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.516 1.798 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.713 ' HB2' ' O ' ' A' ' 14' ' ' PRO . . . 161.72 -50.09 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.713 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.01 76.9 3.27 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.5 1.789 . . . . 0.0 110.981 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.627 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 2.1 m95 -71.35 -23.96 62.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 108.002 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 108.91 6.11 30.45 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.469 1.106 . . . . 0.0 111.04 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.569 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 1.7 p90 -125.33 160.72 28.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 0.77 . . . . 0.0 111.032 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.0 175.51 6.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 110.333 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.47 ' CD2' HD13 ' A' ' 33' ' ' ILE . 73.6 mt -137.06 151.3 48.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -151.89 149.59 29.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.291 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.474 ' CA ' ' HG2' ' A' ' 29' ' ' MET . . . 106.63 -153.1 16.97 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 116.44 175.51 17.78 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -64.63 -22.86 67.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 0.77 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -78.8 -34.02 45.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -93.67 16.24 14.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.959 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 49.68 47.2 23.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.271 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.474 ' HG2' ' CA ' ' A' ' 23' ' ' GLY . 1.9 ptm -168.98 171.92 3.17 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 111.0 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.406 ' O ' ' HG3' ' A' ' 29' ' ' MET . 18.4 Cg_endo -74.98 -161.56 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.525 1.803 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.0 mt -116.25 105.74 12.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.501 HG23 HG22 ' A' ' 52' ' ' VAL . 0.6 OUTLIER -112.98 168.1 9.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 110.404 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.47 HD13 ' CD2' ' A' ' 21' ' ' LEU . 21.4 mm -78.44 105.65 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.74 -58.16 9.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.99 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -153.24 -179.21 7.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 109.981 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 1.048 HD21 ' HB3' ' A' ' 42' ' ' ALA . 0.2 OUTLIER -149.24 163.57 37.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.4 tttp -96.27 147.46 23.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -54.08 113.2 1.15 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 62.63 33.71 87.45 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.499 1.125 . . . . 0.0 110.977 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.8 178.88 24.0 Favored Glycine 0 CA--C 1.529 0.95 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.59 -55.91 22.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 0.748 . . . . 0.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 1.048 ' HB3' HD21 ' A' ' 36' ' ' LEU . . . -45.94 -46.12 15.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.3 t -57.61 -43.05 84.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 110.016 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -65.44 -24.36 67.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.289 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.481 ' HB1' HG23 ' A' ' 9' ' ' VAL . . . -89.4 11.04 20.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 32.7 m-70 64.6 37.72 7.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.575 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 88.9 t -96.61 116.72 39.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 0.0 109.245 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 -103.78 157.9 16.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.285 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.2 mt -67.06 134.77 29.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.286 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 107.49 -4.86 35.05 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -69.17 125.71 27.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 0.768 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.501 HG22 HG23 ' A' ' 32' ' ' THR . 82.5 t -89.85 132.34 34.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.1 t -83.83 102.75 10.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.347 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 50.1 mt -67.45 -44.08 79.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.1 p -138.99 170.26 16.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.973 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 91.6 mt -141.97 91.86 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 81' ' ' ASN . 13.0 t0 68.64 50.74 0.65 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 73.07 3.25 60.15 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.0 mm -97.27 145.98 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 0.756 . . . . 0.0 109.283 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.83 117.47 23.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.042 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -92.95 28.91 1.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -80.41 -57.23 3.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.274 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -105.25 50.17 0.85 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.515 1.135 . . . . 0.0 111.0 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 30.3 mtm -131.07 132.42 44.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 110.997 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 81.5 p -75.68 171.49 14.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.571 1.169 . . . . 0.0 110.422 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.435 ' NE2' ' O ' ' A' ' 21' ' ' LEU . 3.1 t-160 -53.1 -50.62 64.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 109.574 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 1.015 HD13 ' N ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -56.49 -49.54 74.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 1.015 ' N ' HD13 ' A' ' 67' ' ' LEU . 2.3 mt-10 -48.07 -60.32 2.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.296 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.77 -48.7 69.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -56.69 -43.61 80.66 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 110.312 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.543 ' OD1' HD21 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -52.8 -47.94 67.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.258 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.501 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 30.9 mmtm -58.51 -55.93 28.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.605 HG12 HD21 ' A' ' 80' ' ' LEU . 7.7 mt -49.26 -40.52 13.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.7 mttp -62.88 -31.18 72.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 72' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.408 ' HA ' ' O ' ' A' ' 11' ' ' LEU . 2.5 p . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.605 HD21 HG12 ' A' ' 73' ' ' ILE . 12.8 tp -117.49 119.48 35.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.427 ' O ' ' N ' ' A' ' 57' ' ' ASP . 1.0 OUTLIER -114.26 104.82 12.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.107 . . . . 0.0 109.27 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 33.5 mtm -139.0 159.28 42.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 111.019 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.5 m -107.25 147.9 29.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.164 . . . . 0.0 110.349 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 41.6 mt -115.16 163.59 15.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.268 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -111.66 123.75 50.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.128 . . . . 0.0 110.259 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.418 ' HD2' ' N ' ' A' ' 86' ' ' ARG . 1.6 mpt_? . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.311 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 39.6 t -96.18 161.9 13.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 0.748 . . . . 0.0 110.044 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.486 HG22 ' N ' ' A' ' 10' ' ' SER . 1.7 p -139.57 165.24 22.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.54 ' O ' HD23 ' A' ' 11' ' ' LEU . 32.6 t -132.38 136.95 47.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.994 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.54 HD23 ' O ' ' A' ' 10' ' ' SER . 26.4 mt -125.18 148.16 48.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.437 ' O ' HG13 ' A' ' 12' ' ' VAL . 7.6 p -114.78 107.19 22.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -172.11 154.25 21.17 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.711 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.97 -6.51 18.17 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.566 1.824 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.717 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . . . 161.26 -49.57 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.717 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.1 Cg_endo -75.07 79.86 2.58 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.479 1.779 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.639 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 2.3 m95 -75.04 -23.05 58.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 107.996 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.477 ' CA ' ' HB3' ' A' ' 37' ' ' LYS . . . 104.67 27.83 5.9 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.507 1.129 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.567 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 1.6 p90 -150.78 151.94 33.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 0.77 . . . . 0.0 110.985 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.2 mmt-85 -119.24 166.26 13.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.561 HD23 HD13 ' A' ' 33' ' ' ILE . 96.2 mt -126.37 155.36 42.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -155.21 149.72 26.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 110.276 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.468 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 102.4 -161.56 17.06 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.488 1.118 . . . . 0.0 111.03 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 126.46 -173.51 18.07 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.408 ' CA ' ' HE2' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -66.93 -50.02 63.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 0.758 . . . . 0.0 109.297 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -61.05 -20.06 62.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -96.39 -16.54 21.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.5 t30 69.5 38.31 1.79 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.468 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 3.3 ptm -157.21 165.09 19.55 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 110.996 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 155.79 42.82 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.526 1.803 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.403 ' O ' ' HA ' ' A' ' 52' ' ' VAL . 7.6 mt -75.18 112.88 11.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -121.59 168.03 12.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.406 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.561 HD13 HD23 ' A' ' 21' ' ' LEU . 29.0 mm -78.54 105.2 7.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.93 -62.28 1.61 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.011 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.455 ' HA ' HD11 ' A' ' 49' ' ' ILE . 0.5 OUTLIER -149.83 174.7 12.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.033 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.781 HD12 ' HB2' ' A' ' 43' ' ' SER . 0.2 OUTLIER -120.03 154.95 33.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.258 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.477 ' HB3' ' CA ' ' A' ' 18' ' ' GLY . 0.0 OUTLIER -100.13 135.14 42.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.29 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -49.52 123.26 7.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.335 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 44.01 50.78 7.44 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.47 1.106 . . . . 0.0 110.992 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -98.66 179.65 31.76 Favored Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.421 ' CE ' HG12 ' A' ' 12' ' ' VAL . 0.1 OUTLIER -62.88 -57.02 12.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 0.784 . . . . 0.0 109.305 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.48 ' HB2' ' HB3' ' A' ' 19' ' ' PHE . . . -41.66 -61.77 1.02 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.781 ' HB2' HD12 ' A' ' 36' ' ' LEU . 38.8 t -47.42 -48.4 26.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.432 1.082 . . . . 0.0 109.956 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -57.2 -27.36 61.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 42' ' ' ALA . . . -87.5 11.64 14.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 34.1 m-70 61.25 36.92 17.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.635 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.614 HG13 ' OD2' ' A' ' 51' ' ' ASP . 86.3 t -94.35 110.06 23.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.9 mtm180 -102.11 162.27 13.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.455 HD11 ' HA ' ' A' ' 35' ' ' SER . 3.0 mt -61.71 132.13 27.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 114.06 -18.24 19.01 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.478 1.111 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.614 ' OD2' HG13 ' A' ' 47' ' ' VAL . 15.1 m-20 -53.66 124.05 14.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 0.779 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 31' ' ' LEU . 85.5 t -94.36 128.61 45.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.543 HG11 ' CG1' ' A' ' 56' ' ' ILE . 22.1 t -80.55 111.53 17.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.471 HD12 ' O ' ' A' ' 84' ' ' LEU . 45.0 mt -76.81 -38.11 54.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.371 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.9 m -152.77 158.14 41.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 109.998 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.543 ' CG1' HG11 ' A' ' 53' ' ' VAL . 18.1 mt -132.69 130.29 59.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 81' ' ' ASN . 39.0 t0 54.58 29.12 10.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 85.54 1.17 87.85 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.471 1.107 . . . . 0.0 111.025 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.471 HG13 ' CE ' ' A' ' 72' ' ' LYS . 5.9 mm -94.84 126.4 47.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.447 0.734 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.22 123.15 19.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.983 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -89.51 43.17 1.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -90.95 62.21 4.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.281 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 120.14 43.15 0.49 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.517 1.136 . . . . 0.0 110.953 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 5.4 mtm -115.54 137.52 51.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 0.747 . . . . 0.0 111.001 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.4 p -80.68 164.27 22.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 110.43 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -52.2 -56.8 12.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.634 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.0 tp -46.61 -50.87 16.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 109.355 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -51.02 -69.14 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.332 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.536 ' HB1' HD12 ' A' ' 56' ' ' ILE . . . -47.73 -44.55 27.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -58.81 -40.56 84.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.99 -50.65 72.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.494 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 36.0 mmtt -52.95 -58.54 6.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.421 1.076 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.689 HG12 HD21 ' A' ' 80' ' ' LEU . 6.4 mt -44.57 -47.41 2.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.0 mttp -60.54 -38.97 86.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.494 ' HB3' ' O ' ' A' ' 72' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.265 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.418 ' HA ' ' O ' ' A' ' 11' ' ' LEU . 1.2 p . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.689 HD21 HG12 ' A' ' 73' ' ' ILE . 9.3 tp -110.64 121.76 46.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.451 ' O ' ' N ' ' A' ' 57' ' ' ASP . 0.9 OUTLIER -116.43 105.22 12.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.468 ' HE1' ' CZ ' ' A' ' 19' ' ' PHE . 27.9 mtm -136.77 156.04 49.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.138 . . . . 0.0 111.012 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.8 m -104.18 146.1 29.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.411 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.471 ' O ' HD12 ' A' ' 54' ' ' LEU . 47.7 mt -115.78 162.1 17.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -110.31 119.28 38.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.309 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.088 . . . . 0.0 110.288 -179.94 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 40.8 t -94.44 163.24 13.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 0.767 . . . . 0.0 109.991 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.465 ' CG2' ' N ' ' A' ' 10' ' ' SER . 0.9 OUTLIER -137.94 163.4 29.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.465 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 47.2 t -136.2 130.29 32.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.025 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 54.9 mt -119.69 148.01 43.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 76.1 t -115.69 106.66 20.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -174.63 156.36 22.81 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.512 1.132 . . . . 0.0 111.05 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.697 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.01 -5.8 17.25 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.518 1.799 . . . . 0.0 110.962 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.73 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . . . 161.8 -50.15 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.73 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.95 78.81 2.79 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.451 1.763 . . . . 0.0 111.028 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.633 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 1.9 m95 -73.3 -23.72 60.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 107.983 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.459 ' CA ' ' HB3' ' A' ' 37' ' ' LYS . . . 107.45 26.19 5.74 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.472 1.107 . . . . 0.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.603 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 0.9 OUTLIER -147.86 149.55 32.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 0.751 . . . . 0.0 110.962 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.415 ' CB ' ' OG ' ' A' ' 34' ' ' SER . 2.8 mmt180 -113.23 174.63 5.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.578 HD11 HD13 ' A' ' 73' ' ' ILE . 54.6 mt -131.1 159.77 36.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -160.41 145.72 14.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.479 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 102.34 -160.52 17.44 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.488 1.118 . . . . 0.0 110.984 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 127.63 175.21 14.01 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.18 -36.53 84.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 0.749 . . . . 0.0 109.302 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.54 -20.93 61.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.433 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 27.0 m-85 -95.87 -17.47 21.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.087 . . . . 0.0 111.0 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.433 ' CB ' ' O ' ' A' ' 27' ' ' PHE . 20.2 t-20 78.29 36.64 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.479 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 4.3 ptm -159.73 164.56 19.97 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.959 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 157.59 42.54 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.466 1.771 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.402 ' O ' ' HA ' ' A' ' 52' ' ' VAL . 1.6 mt -75.42 118.44 18.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -127.2 168.73 14.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.093 . . . . 0.0 110.389 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.431 HG21 ' CD2' ' A' ' 36' ' ' LEU . 37.8 mm -78.66 104.23 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.42 ' HB3' ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -48.78 -60.24 2.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.967 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.75 176.36 12.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.113 . . . . 0.0 109.953 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.861 HD12 ' HB3' ' A' ' 43' ' ' SER . 0.4 OUTLIER -117.23 154.22 31.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.459 ' HB3' ' CA ' ' A' ' 18' ' ' GLY . 0.0 OUTLIER -97.23 136.02 38.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.69 112.56 0.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 58.49 46.3 93.32 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.453 1.096 . . . . 0.0 111.035 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -90.92 178.44 42.22 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -71.48 -54.78 9.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.766 . . . . 0.0 109.305 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.474 ' CB ' ' HB3' ' A' ' 19' ' ' PHE . . . -40.23 -60.73 1.01 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.861 ' HB3' HD12 ' A' ' 36' ' ' LEU . 5.9 p -47.46 -48.37 26.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.999 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -63.54 -22.64 67.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 42' ' ' ALA . . . -90.74 16.72 8.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.415 ' HA ' ' NH2' ' A' ' 48' ' ' ARG . 13.5 m-70 59.13 50.25 8.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.102 . . . . 0.0 109.579 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 44.5 t -108.77 99.24 8.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.42 ' NH2' ' O ' ' A' ' 43' ' ' SER . 8.8 mmp_? -87.94 166.42 14.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.0 mt -72.33 133.36 31.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 107.27 -9.67 39.08 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.506 1.129 . . . . 0.0 111.032 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.406 ' OD2' HD13 ' A' ' 84' ' ' LEU . 10.7 m-20 -58.51 125.05 21.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 0.751 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.402 ' HA ' ' O ' ' A' ' 31' ' ' LEU . 72.3 t -93.11 129.86 43.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.506 ' CG1' ' O ' ' A' ' 55' ' ' SER . 99.8 t -84.1 104.57 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 32.6 mt -69.29 -45.46 69.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.506 ' O ' ' CG1' ' A' ' 53' ' ' VAL . 87.8 p -130.92 172.76 11.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.006 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.547 HG22 ' O ' ' A' ' 56' ' ' ILE . 17.5 mt -146.12 92.68 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 81' ' ' ASN . 7.3 t0 71.57 43.86 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.112 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 75.63 5.3 78.2 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.459 1.1 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.42 ' O ' ' N ' ' A' ' 56' ' ' ILE . 2.9 mm -103.4 137.58 31.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 0.768 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.4 t -67.74 120.92 14.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.976 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -102.35 40.21 1.39 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -88.87 -48.22 7.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -113.5 52.64 0.63 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.543 1.152 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 8.1 mtm -129.27 135.5 48.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 0.739 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 19.4 p -79.96 165.45 22.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.391 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -47.43 -48.89 26.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.578 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.994 HD13 ' N ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -57.09 -54.35 47.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.994 ' N ' HD13 ' A' ' 67' ' ' LEU . 9.7 mm-40 -45.54 -57.03 4.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.518 ' HB1' ' CD1' ' A' ' 56' ' ' ILE . . . -56.62 -51.89 66.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -53.16 -47.3 68.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.608 ' OD1' HD21 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -52.1 -48.66 64.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.421 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 18.1 mmtt -59.51 -57.74 11.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.578 HD13 HD11 ' A' ' 21' ' ' LEU . 5.3 mt -50.96 -40.22 20.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.343 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.0 tttt -65.47 -32.47 74.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 72' ' ' LYS . . . . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.577 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 12.7 tp -114.42 118.38 33.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.415 ' O ' ' N ' ' A' ' 57' ' ' ASP . 1.2 m-80 -116.61 105.04 12.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.09 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 25.3 mtm -140.56 152.85 45.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 111.001 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.438 ' O ' HD23 ' A' ' 84' ' ' LEU . 5.9 m -98.45 147.44 24.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.393 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.438 HD23 ' O ' ' A' ' 83' ' ' THR . 17.6 mt -114.77 166.18 12.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.426 ' HG2' ' N ' ' A' ' 86' ' ' ARG . 0.0 OUTLIER -117.28 137.74 52.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.298 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.426 ' N ' ' HG2' ' A' ' 85' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.31 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.7 p -93.5 151.66 19.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 0.791 . . . . 0.0 109.983 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.458 ' CG2' ' N ' ' A' ' 10' ' ' SER . 1.3 p -122.03 163.34 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.458 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 47.3 t -133.37 115.65 15.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.017 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.462 HD13 ' HB3' ' A' ' 17' ' ' TRP . 34.5 mt -102.99 149.97 24.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 77.9 t -117.94 106.35 19.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -177.26 156.88 21.21 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.714 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.04 -4.88 16.05 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.493 1.786 . . . . 0.0 111.031 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.724 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . . . 161.67 -50.14 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.724 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -75.02 77.61 3.1 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.509 1.794 . . . . 0.0 111.02 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.588 ' CZ2' ' HB2' ' A' ' 80' ' ' LEU . 2.8 m95 -70.19 -25.96 63.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 107.952 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.474 ' CA ' ' HB3' ' A' ' 37' ' ' LYS . . . 106.28 29.11 4.94 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.483 1.115 . . . . 0.0 110.976 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.601 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 0.8 OUTLIER -148.95 149.56 31.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 0.796 . . . . 0.0 111.018 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.4 mmm180 -114.44 175.71 5.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 110.343 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.452 ' C ' ' NE2' ' A' ' 66' ' ' HIS . 69.6 mt -135.1 152.25 51.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -153.03 143.32 22.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.565 1.166 . . . . 0.0 110.286 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.477 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 107.98 -157.72 15.23 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.493 1.121 . . . . 0.0 111.029 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 122.97 -169.96 15.35 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.39 -55.88 8.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 0.765 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -56.46 -19.33 14.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -95.85 -20.37 18.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 111.014 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 72.78 43.5 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.477 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 4.7 ptm -164.57 164.99 13.13 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 155.89 43.01 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.529 1.805 . . . . 0.0 111.009 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.7 mt -75.35 111.96 11.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.255 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -117.94 167.78 11.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.427 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.439 HG21 HD23 ' A' ' 36' ' ' LEU . 30.0 mm -78.46 100.35 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.405 ' HB3' ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -45.9 -59.61 2.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 109.994 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.503 ' HA ' HD11 ' A' ' 49' ' ' ILE . 0.5 OUTLIER -153.8 175.37 13.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.997 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.788 HD12 ' HB3' ' A' ' 43' ' ' SER . 0.2 OUTLIER -119.57 163.54 17.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.272 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.474 ' HB3' ' CA ' ' A' ' 18' ' ' GLY . 13.0 tttp -109.67 128.28 55.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -43.34 121.52 2.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 45.8 53.77 8.43 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -103.08 165.44 16.03 Favored Glycine 0 CA--C 1.531 1.057 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.09 -48.51 64.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 0.785 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.476 ' CB ' ' HB3' ' A' ' 19' ' ' PHE . . . -48.98 -63.91 0.96 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.788 ' HB3' HD12 ' A' ' 36' ' ' LEU . 83.8 p -47.25 -48.26 24.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.0 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -54.91 -26.2 34.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.36 12.56 13.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 10.5 m170 59.87 42.95 15.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.623 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.464 HG13 ' OD2' ' A' ' 51' ' ' ASP . 98.1 t -98.5 112.36 30.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.408 1.067 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.5 mtm180 -101.47 161.5 13.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 110.284 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.503 HD11 ' HA ' ' A' ' 35' ' ' SER . 3.1 mt -64.92 133.72 30.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 112.84 -18.42 22.03 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.566 1.166 . . . . 0.0 111.03 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.464 ' OD2' HG13 ' A' ' 47' ' ' VAL . 13.3 m-20 -53.84 126.04 20.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.757 . . . . 0.0 109.236 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 82.7 t -94.66 132.61 38.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.33 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.418 HG11 ' CG1' ' A' ' 56' ' ' ILE . 43.4 t -89.11 104.85 15.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 42.5 mt -73.28 -42.62 62.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.3 p -131.89 164.47 26.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 110.007 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.582 ' CD1' ' HB1' ' A' ' 69' ' ' ALA . 55.5 mt -142.26 98.32 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 81' ' ' ASN . 16.2 t0 71.23 50.65 0.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.113 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 65.44 13.18 57.96 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.536 1.147 . . . . 0.0 111.008 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.418 HG13 ' CE ' ' A' ' 72' ' ' LYS . 3.1 mm -109.36 143.41 19.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.498 0.763 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.4 t -75.07 123.88 25.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 110.008 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -98.75 28.24 4.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -92.97 53.51 2.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 0.0 110.321 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 142.66 45.22 0.05 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 9.1 mtm -129.45 135.48 48.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 0.754 . . . . 0.0 110.989 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.9 p -72.23 161.9 30.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.42 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.452 ' NE2' ' C ' ' A' ' 21' ' ' LEU . 3.1 t-160 -51.92 -50.46 61.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.596 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 1.006 HD13 ' N ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -53.98 -54.49 38.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 1.006 ' N ' HD13 ' A' ' 67' ' ' LEU . 54.6 mm-40 -46.66 -60.14 2.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 110.277 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.582 ' HB1' ' CD1' ' A' ' 56' ' ' ILE . . . -51.71 -43.57 62.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.442 ' HA ' HD12 ' A' ' 73' ' ' ILE . 5.9 mm-40 -64.02 -37.19 86.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.566 1.166 . . . . 0.0 110.263 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.536 ' OD1' HD21 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -62.02 -46.46 89.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.518 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 20.7 mmtm -57.72 -52.47 65.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.518 ' HA ' HD11 ' A' ' 80' ' ' LEU . 6.1 mt -45.54 -41.98 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.108 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.66 -40.35 87.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 72' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.4 p . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.588 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 11.1 tp -111.0 142.46 43.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.426 ' O ' ' N ' ' A' ' 57' ' ' ASP . 0.6 OUTLIER -131.43 105.11 7.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.454 ' HE1' ' CZ ' ' A' ' 19' ' ' PHE . 39.6 mtm -139.88 144.65 37.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.2 m -91.23 148.37 22.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.393 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 50.6 mt -117.0 166.44 12.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -121.58 125.35 46.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 110.328 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.266 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.9 p -92.37 151.93 20.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 0.781 . . . . 0.0 110.003 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.473 ' CG2' ' N ' ' A' ' 10' ' ' SER . 1.4 p -129.27 164.09 32.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.473 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 40.4 t -128.34 124.44 36.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.996 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.542 HD13 ' HB3' ' A' ' 17' ' ' TRP . 6.3 mt -99.82 147.87 25.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.168 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 76.2 t -118.05 106.44 19.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.292 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -178.93 156.95 19.98 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.698 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -75.0 -5.22 16.52 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.506 1.793 . . . . 0.0 111.032 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.736 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . . . 161.89 -50.52 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.736 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.99 75.88 3.56 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.461 1.769 . . . . 0.0 111.013 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.591 ' CZ2' ' HB2' ' A' ' 80' ' ' LEU . 2.7 m95 -67.19 -27.49 67.31 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.463 ' CA ' ' HB3' ' A' ' 37' ' ' LYS . . . 103.59 29.48 5.6 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.49 1.118 . . . . 0.0 110.966 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.629 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -148.58 148.74 30.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 0.761 . . . . 0.0 110.975 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.68 174.66 6.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.806 HD11 HD11 ' A' ' 73' ' ' ILE . 77.9 mt -120.09 160.18 23.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -156.12 149.11 24.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.273 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.48 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 91.14 -162.02 28.22 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.544 1.153 . . . . 0.0 111.012 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 132.11 161.43 10.04 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.86 -29.08 26.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 0.757 . . . . 0.0 109.291 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -79.02 -31.55 44.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -87.39 -3.39 59.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 111.002 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 60.87 53.08 3.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.48 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 4.3 ptm -172.96 165.71 3.24 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.145 . . . . 0.0 110.996 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.4 ' O ' ' HG3' ' A' ' 29' ' ' MET . 18.4 Cg_endo -74.96 155.23 43.13 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.523 1.802 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.401 ' O ' ' HA ' ' A' ' 52' ' ' VAL . 5.8 mt -74.76 119.84 19.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -127.79 171.16 11.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.389 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.52 HG21 ' CD2' ' A' ' 36' ' ' LEU . 22.7 mm -78.47 100.89 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.42 ' HB3' ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -44.49 -57.29 3.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.98 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.505 ' HA ' HD11 ' A' ' 49' ' ' ILE . 0.5 OUTLIER -157.0 175.57 13.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 110.009 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.841 HD12 ' HB2' ' A' ' 43' ' ' SER . 0.3 OUTLIER -120.01 167.68 11.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.271 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.463 ' HB3' ' CA ' ' A' ' 18' ' ' GLY . 5.4 tttp -113.95 133.82 55.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.16 118.39 1.89 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 47.84 51.63 17.9 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.51 1.131 . . . . 0.0 111.029 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -98.5 162.66 20.64 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.76 -59.19 3.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 0.743 . . . . 0.0 109.246 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.48 ' CB ' ' HB3' ' A' ' 19' ' ' PHE . . . -42.04 -63.74 0.69 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.107 . . . . 0.0 109.367 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.841 ' HB2' HD12 ' A' ' 36' ' ' LEU . 1.4 t -47.43 -47.8 26.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.025 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -55.06 -25.72 32.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 110.268 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 42' ' ' ALA . . . -90.67 14.92 12.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 64.22 42.43 5.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.582 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.436 HG13 ' OD2' ' A' ' 51' ' ' ASP . 93.1 t -96.08 108.58 21.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.2 mtm180 -105.59 155.62 19.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.505 HD11 ' HA ' ' A' ' 35' ' ' SER . 2.9 mt -58.57 132.66 23.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.451 1.095 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 115.12 -19.39 15.22 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.484 1.115 . . . . 0.0 111.025 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.436 ' OD2' HG13 ' A' ' 47' ' ' VAL . 38.3 m-20 -53.99 124.37 15.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 0.758 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.401 ' HA ' ' O ' ' A' ' 31' ' ' LEU . 77.4 t -93.75 128.67 44.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.349 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.482 HG11 ' CG1' ' A' ' 56' ' ' ILE . 36.6 t -87.69 106.59 16.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.402 HD11 ' HB2' ' A' ' 85' ' ' GLN . 40.2 mt -75.82 -33.04 60.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.263 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.407 ' O ' ' CG1' ' A' ' 53' ' ' VAL . 18.0 p -146.14 166.79 25.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.143 . . . . 0.0 110.028 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.482 ' CG1' HG11 ' A' ' 53' ' ' VAL . 85.9 mt -142.94 89.37 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 81' ' ' ASN . 17.7 t0 75.81 55.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 63.43 13.71 51.3 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.528 1.142 . . . . 0.0 110.991 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.404 ' O ' ' HA ' ' A' ' 55' ' ' SER . 2.3 mm -107.9 138.05 36.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.519 0.776 . . . . 0.0 109.255 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.2 t -73.68 122.76 22.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 109.985 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -103.81 33.22 3.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -74.29 -64.38 1.03 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.301 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -105.46 51.94 0.74 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.528 1.143 . . . . 0.0 111.035 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.7 mtm -117.33 132.53 56.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 0.761 . . . . 0.0 111.016 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 64.3 p -79.85 157.44 26.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.374 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.444 ' NE2' ' C ' ' A' ' 21' ' ' LEU . 2.0 t-160 -43.31 -50.12 6.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.631 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 18.5 tp -55.53 -50.72 69.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.247 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -51.11 -64.69 0.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 110.285 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.03 -48.48 43.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -58.73 -41.12 85.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 110.279 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -52.61 -53.27 49.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 75' ' ' ALA . 25.1 mmmt -47.36 -61.37 1.94 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.806 HD11 HD11 ' A' ' 21' ' ' LEU . 5.9 mt -44.92 -48.71 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -51.45 -36.98 46.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 72' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.8 p . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.591 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 14.4 tp -120.32 110.58 16.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 57' ' ' ASP . 1.7 m-80 -98.55 109.24 22.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.09 . . . . 0.0 109.342 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.434 ' HB2' ' HE3' ' A' ' 82' ' ' MET . 35.0 mtm -134.68 145.15 48.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 111.028 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 20.3 m -90.69 151.04 21.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.368 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 70.0 mt -125.26 168.13 13.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.117 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.428 ' HG3' ' N ' ' A' ' 86' ' ' ARG . 1.1 tp-100 -129.29 136.8 50.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.308 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.428 ' N ' ' HG3' ' A' ' 85' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.095 . . . . 0.0 110.298 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.0 m -106.47 156.4 18.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 0.764 . . . . 0.0 110.008 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.467 ' CG2' ' N ' ' A' ' 10' ' ' SER . 1.4 p -143.53 164.36 15.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.467 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 9.4 t -134.39 129.37 35.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.008 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.406 HD12 ' CE2' ' A' ' 19' ' ' PHE . 35.4 mt -113.07 148.57 34.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.346 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.42 ' O ' HG13 ' A' ' 12' ' ' VAL . 7.1 p -117.8 106.62 20.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -176.2 157.05 22.56 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.461 1.1 . . . . 0.0 111.022 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.711 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.01 -6.06 17.57 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.526 1.803 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.724 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . . . 161.96 -50.25 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.57 1.169 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.724 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.0 77.46 3.13 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.441 1.758 . . . . 0.0 110.959 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.609 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 2.1 m95 -71.03 -24.9 62.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 108.016 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.458 ' O ' HD13 ' A' ' 36' ' ' LEU . . . 108.06 3.88 33.68 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.498 1.124 . . . . 0.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.608 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 0.7 OUTLIER -121.96 139.77 53.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 0.779 . . . . 0.0 110.968 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.446 ' CB ' ' OG ' ' A' ' 34' ' ' SER . 2.7 mmm180 -106.99 174.32 5.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 110.294 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.557 HD23 HD13 ' A' ' 33' ' ' ILE . 72.9 mt -135.5 154.66 51.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -158.94 149.27 19.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 110.297 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.486 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 100.99 -157.38 19.17 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.125 . . . . 0.0 111.043 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 121.96 -175.48 16.31 Favored Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.18 -53.51 43.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 0.754 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -59.16 -17.44 27.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -97.48 -15.05 20.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 110.983 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 70.04 35.48 2.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.255 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.486 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 3.3 ptm -157.61 165.41 18.78 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.149 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 154.43 42.45 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.488 1.783 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.6 mt -75.33 111.27 10.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.419 ' HA ' ' O ' ' A' ' 51' ' ' ASP . 0.6 OUTLIER -119.7 167.56 11.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.445 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.557 HD13 HD23 ' A' ' 21' ' ' LEU . 51.4 mm -78.23 102.02 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.446 ' OG ' ' CB ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -44.1 -56.01 4.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.157 . . . . 0.0 110.006 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -161.26 179.95 7.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.992 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.975 HD11 ' HB3' ' A' ' 42' ' ' ALA . 0.2 OUTLIER -130.57 151.94 50.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 18' ' ' GLY . 6.2 ttpt -95.93 149.48 21.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -57.3 118.02 4.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.37 46.71 86.51 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.463 1.102 . . . . 0.0 110.981 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -87.95 160.89 31.44 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.14 -47.07 72.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 0.789 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.975 ' HB3' HD11 ' A' ' 36' ' ' LEU . . . -55.59 -56.73 16.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.2 p -54.64 -34.21 61.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.002 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -69.0 -21.95 64.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 110.335 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.404 ' HB3' HG23 ' A' ' 47' ' ' VAL . . . -89.44 11.14 20.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 13.3 m-70 65.99 37.61 5.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.566 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.404 HG23 ' HB3' ' A' ' 45' ' ' ALA . 60.5 t -94.75 113.58 29.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -95.93 152.23 18.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 110.277 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.415 HD13 ' HA ' ' A' ' 49' ' ' ILE . 21.1 mm -58.34 138.17 19.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 108.91 -11.87 34.7 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.469 1.106 . . . . 0.0 111.011 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.723 ' CG ' HD22 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -53.6 142.12 23.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 0.744 . . . . 0.0 109.314 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 75.5 t -110.69 116.79 53.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.474 ' CG1' ' O ' ' A' ' 55' ' ' SER . 61.4 t -71.59 104.6 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.431 HD21 ' HB2' ' A' ' 85' ' ' GLN . 39.7 mt -71.8 -37.45 70.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.474 ' O ' ' CG1' ' A' ' 53' ' ' VAL . 33.9 p -141.01 169.35 17.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.996 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.652 ' CD1' ' HB1' ' A' ' 69' ' ' ALA . 77.1 mt -143.77 86.28 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 81' ' ' ASN . 5.4 t70 76.73 46.57 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 73.55 2.86 61.1 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.473 1.108 . . . . 0.0 110.984 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.4 mm -97.2 144.22 11.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.482 0.754 . . . . 0.0 109.33 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.64 115.81 16.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 110.004 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -94.8 28.13 2.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -85.67 -49.39 8.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.412 1.07 . . . . 0.0 110.297 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -109.8 47.64 1.02 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.499 1.124 . . . . 0.0 111.042 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 7.7 mtm -129.01 134.82 48.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 0.761 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.452 ' OG1' ' CG ' ' A' ' 68' ' ' GLU . 27.3 p -74.45 171.52 13.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.398 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -54.57 -54.28 43.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.58 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 1.032 HD13 ' N ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -56.94 -47.01 81.68 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 1.032 ' N ' HD13 ' A' ' 67' ' ' LEU . 22.9 mm-40 -47.15 -57.99 4.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.272 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.722 ' O ' HD12 ' A' ' 73' ' ' ILE . . . -58.86 -46.25 88.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.344 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -56.58 -39.69 73.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.289 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.558 ' OD1' HD21 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -57.97 -50.06 74.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.416 ' NZ ' ' HB3' ' A' ' 72' ' ' LYS . 0.6 OUTLIER -54.32 -63.29 1.2 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.722 HD12 ' O ' ' A' ' 69' ' ' ALA . 3.4 mt -45.82 -34.34 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.107 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.14 -51.84 67.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.336 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 179.994 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.564 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 14.2 tp -115.4 125.58 53.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 57' ' ' ASP . 1.0 OUTLIER -114.9 105.34 12.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.526 ' HE1' ' CZ ' ' A' ' 19' ' ' PHE . 45.6 mtm -136.0 167.14 21.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 111.042 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.9 m -117.78 147.21 43.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.371 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.723 HD22 ' CG ' ' A' ' 51' ' ' ASP . 8.7 mt -117.74 159.6 22.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.431 ' HB2' HD21 ' A' ' 54' ' ' LEU . 39.7 tt0 -108.62 123.1 48.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.312 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.309 -179.991 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.8 p -88.73 146.09 25.24 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 0.765 . . . . 0.0 110.016 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.673 HG11 HD11 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -117.04 153.69 18.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.274 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 36.1 t -122.62 122.53 39.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.995 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.458 HD12 ' HE2' ' A' ' 19' ' ' PHE . 39.3 mt -113.47 145.05 41.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.4 p -112.79 106.35 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -173.04 154.77 21.39 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.721 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.02 -6.94 18.68 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.438 1.757 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.721 ' HB2' ' O ' ' A' ' 14' ' ' PRO . . . 161.26 -49.63 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.709 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.96 80.24 2.47 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.505 1.792 . . . . 0.0 111.016 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.658 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 1.9 m95 -75.76 -22.22 56.68 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 107.83 -14.39 37.95 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.511 1.132 . . . . 0.0 110.987 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.545 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 1.4 p90 -106.31 157.98 17.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 0.739 . . . . 0.0 110.991 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.46 167.98 16.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.442 ' CD2' HD13 ' A' ' 33' ' ' ILE . 23.0 mt -121.02 161.81 21.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -158.42 147.77 19.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.174 . . . . 0.0 110.282 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.481 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 98.49 -163.12 20.72 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.519 1.137 . . . . 0.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.46 179.95 16.84 Favored Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.95 -44.67 79.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 0.746 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.71 -14.84 63.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.095 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.441 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 6.0 m-85 -97.49 -24.85 15.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.441 ' CB ' ' O ' ' A' ' 27' ' ' PHE . 1.3 t-20 77.8 46.16 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.481 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 3.0 ptm -167.46 165.75 8.49 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 111.009 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 152.82 41.15 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.475 1.776 . . . . 0.0 110.993 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 mt -75.48 109.71 9.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -118.09 168.24 10.74 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 110.436 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.585 HG22 ' CD1' ' A' ' 49' ' ' ILE . 17.6 mm -78.34 102.99 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -47.76 -62.14 1.6 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 110.01 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.15 -173.93 4.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.991 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.908 HD21 ' HB3' ' A' ' 42' ' ' ALA . 0.3 OUTLIER -156.53 158.73 37.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 62.1 tttt -95.11 147.22 23.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -51.74 117.69 2.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 50.15 41.22 38.18 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.52 -145.36 0.58 Allowed Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.15 -63.43 1.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.763 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.908 ' HB3' HD21 ' A' ' 36' ' ' LEU . . . -46.26 -42.31 14.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.4 t -62.26 -41.8 98.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.98 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -63.08 -24.81 68.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 110.27 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.76 7.88 31.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.112 . . . . 0.0 109.349 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 26.1 m-70 67.15 45.2 1.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 109.589 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 66.6 t -108.0 115.73 49.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.6 mtm180 -98.75 136.3 38.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 110.317 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.585 ' CD1' HG22 ' A' ' 33' ' ' ILE . 20.8 mm -41.09 141.39 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 109.349 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 109.39 -13.13 33.36 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.527 1.142 . . . . 0.0 111.045 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.755 ' OD1' HD22 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -53.96 141.96 26.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 0.787 . . . . 0.0 109.243 -179.945 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 73.2 t -108.69 118.0 55.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.487 HG11 ' CG1' ' A' ' 56' ' ' ILE . 28.8 t -72.79 103.97 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 87.7 mt -70.98 -39.19 72.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.3 m -152.18 159.61 43.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.123 . . . . 0.0 110.027 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.487 ' CG1' HG11 ' A' ' 53' ' ' VAL . 17.8 mt -131.37 128.98 62.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 81' ' ' ASN . 34.8 t70 55.22 20.58 3.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 97.0 -3.29 62.16 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.535 1.147 . . . . 0.0 110.98 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.424 HG13 ' CE ' ' A' ' 72' ' ' LYS . 5.1 mm -89.77 125.37 42.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.516 0.774 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.51 121.27 14.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.997 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -89.54 42.86 1.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -81.86 -39.37 24.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.275 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -131.8 46.71 1.05 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.488 1.118 . . . . 0.0 110.969 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.5 mtm -119.14 144.76 46.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 111.028 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 73.2 p -95.01 159.56 14.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.368 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -42.84 -53.43 4.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.559 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 11.7 tp -48.91 -56.91 7.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -50.16 -64.19 0.89 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.294 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.474 ' HB1' HD12 ' A' ' 56' ' ' ILE . . . -50.08 -47.02 53.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.9 -42.65 85.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -53.45 -52.78 58.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.424 ' CE ' HG13 ' A' ' 59' ' ' ILE . 36.6 mmtt -52.28 -53.46 43.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 6.8 mt -53.68 -30.15 18.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.98 -24.81 35.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.279 -179.976 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.0 p . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.573 ' HB2' ' CH2' ' A' ' 17' ' ' TRP . 12.7 tp -122.51 133.87 54.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 109.279 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 57' ' ' ASP . 0.7 OUTLIER -128.11 105.28 8.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.286 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.437 ' HE1' ' CZ ' ' A' ' 19' ' ' PHE . 27.0 mtm -137.68 164.33 29.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 111.051 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.6 m -107.6 150.7 26.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 110.38 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.755 HD22 ' OD1' ' A' ' 51' ' ' ASP . 11.5 mt -124.62 160.3 28.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.344 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -113.97 120.18 39.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.259 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.318 179.984 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.3 p -99.24 154.7 17.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.593 0.82 . . . . 0.0 109.992 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.433 ' CG2' ' N ' ' A' ' 10' ' ' SER . 0.5 OUTLIER -121.43 160.12 23.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.433 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 19.0 t -128.4 122.99 32.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.999 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 70.3 mt -115.14 144.15 44.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 75.3 t -114.49 106.86 21.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -174.8 156.64 23.18 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.509 1.131 . . . . 0.0 110.945 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.706 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -75.05 -5.57 16.93 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.496 1.787 . . . . 0.0 111.004 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.729 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . . . 161.72 -50.14 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.729 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.95 78.67 2.83 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.472 1.775 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.625 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 2.2 m95 -73.0 -24.26 60.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 108.028 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.469 ' CA ' ' HB3' ' A' ' 37' ' ' LYS . . . 105.66 27.76 5.63 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.49 1.119 . . . . 0.0 110.984 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.591 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 1.2 p90 -148.7 144.29 27.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 0.762 . . . . 0.0 110.986 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.416 ' CB ' ' OG ' ' A' ' 34' ' ' SER . 5.2 mmm180 -111.19 165.35 11.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 21' ' ' LEU . 31.4 mt -126.21 157.68 37.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -158.07 153.17 25.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 110.302 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.486 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 98.17 -155.9 20.36 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.485 1.116 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 119.88 -176.65 16.22 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.437 ' HB3' HG22 ' A' ' 65' ' ' THR . 3.6 ttpt -66.73 -49.49 65.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 0.742 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.03 -18.66 47.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -98.95 -18.81 17.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 111.03 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.9 t30 75.49 39.42 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.486 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 5.9 ptm -161.45 164.98 17.44 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.997 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 156.58 42.7 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.48 1.779 . . . . 0.0 110.995 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.406 ' O ' ' HA ' ' A' ' 52' ' ' VAL . 1.6 mt -75.3 117.37 17.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.103 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -124.52 167.34 14.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.432 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 26.0 mm -78.49 101.65 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.416 ' OG ' ' CB ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -46.24 -59.9 2.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.993 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.89 179.72 8.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.994 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.876 HD12 ' HB3' ' A' ' 43' ' ' SER . 0.4 OUTLIER -119.4 167.78 11.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.469 ' HB3' ' CA ' ' A' ' 18' ' ' GLY . 11.8 tttt -114.78 128.02 56.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -42.41 115.29 0.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.6 47.81 81.67 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -90.74 179.32 42.93 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.63 -56.84 4.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 0.762 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.44 ' CB ' ' HB3' ' A' ' 19' ' ' PHE . . . -41.58 -58.68 1.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.876 ' HB3' HD12 ' A' ' 36' ' ' LEU . 2.9 p -47.61 -48.41 28.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.158 . . . . 0.0 109.983 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -65.11 -22.17 66.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.249 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 42' ' ' ALA . . . -90.67 15.21 11.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.41 ' HA ' ' NH2' ' A' ' 48' ' ' ARG . 14.6 m-70 62.28 49.63 4.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.602 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.462 HG22 HD11 ' A' ' 84' ' ' LEU . 47.5 t -108.27 98.96 7.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.455 ' NH2' ' O ' ' A' ' 43' ' ' SER . 8.9 mmp_? -87.82 165.65 15.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.338 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 1.9 mt -72.8 129.43 35.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 111.68 -13.46 27.4 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.555 1.159 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -53.76 123.42 12.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.578 0.81 . . . . 0.0 109.281 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.406 ' HA ' ' O ' ' A' ' 31' ' ' LEU . 81.9 t -90.1 127.64 42.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.48 ' CG1' HG13 ' A' ' 56' ' ' ILE . 38.6 t -82.46 105.87 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 37.7 mt -70.25 -47.89 59.36 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 0.0 109.341 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 25.2 m -142.62 162.57 35.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.155 . . . . 0.0 109.992 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.509 ' CD1' ' HB1' ' A' ' 69' ' ' ALA . 35.1 mt -136.76 117.33 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.249 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 81' ' ' ASN . 18.6 t70 61.83 39.28 14.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 77.04 2.04 76.27 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.506 1.129 . . . . 0.0 110.982 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.468 HG13 ' CE ' ' A' ' 72' ' ' LYS . 2.9 mm -96.95 123.53 49.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.519 0.776 . . . . 0.0 109.264 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.1 123.99 21.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 110.001 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -88.19 44.58 1.21 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -99.21 67.23 1.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.334 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 136.35 -39.2 1.68 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.496 1.122 . . . . 0.0 110.978 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 13.1 mtm -43.93 137.48 3.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 0.75 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.437 HG22 ' HB3' ' A' ' 25' ' ' LYS . 68.0 p -83.1 168.38 16.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.341 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -49.01 -49.27 41.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.605 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 1.01 HD13 ' N ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -58.41 -49.52 76.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 1.01 ' N ' HD13 ' A' ' 67' ' ' LEU . 2.7 mt-10 -47.85 -56.98 6.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.509 ' HB1' ' CD1' ' A' ' 56' ' ' ILE . . . -58.6 -43.14 89.44 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -40.45 93.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.577 ' OD1' HD21 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -56.62 -49.19 75.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.336 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.587 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 36.2 mmtm -56.91 -52.12 66.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.612 ' HA ' HD11 ' A' ' 80' ' ' LEU . 5.6 mt -48.17 -49.99 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.344 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.09 -26.38 67.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.587 ' HB3' ' O ' ' A' ' 72' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.335 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.612 HD11 ' HA ' ' A' ' 73' ' ' ILE . 9.8 tp -98.05 145.78 26.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.217 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.408 ' O ' ' N ' ' A' ' 57' ' ' ASP . 0.6 OUTLIER -137.1 104.83 5.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.441 ' HE1' HD23 ' A' ' 80' ' ' LEU . 27.3 mtm -135.47 146.37 48.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.1 m -91.82 144.26 25.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.435 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.462 HD11 HG22 ' A' ' 47' ' ' VAL . 62.5 mt -115.77 155.36 27.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -101.68 120.36 40.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 110.323 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 179.985 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 54.2 p -105.65 157.52 17.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 0.754 . . . . 0.0 110.006 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.465 ' CG2' ' N ' ' A' ' 10' ' ' SER . 1.6 p -144.11 164.06 14.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.465 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 33.9 t -137.34 126.01 23.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.028 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.423 ' O ' ' HA ' ' A' ' 79' ' ' SER . 12.5 mt -111.31 154.38 24.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 69.5 t -118.46 107.59 22.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.165 . . . . 0.0 109.302 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -175.3 154.89 19.09 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.477 1.111 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.712 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.96 -6.43 18.07 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.474 1.776 . . . . 0.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.723 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . . . 161.94 -49.87 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.723 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.0 76.16 3.48 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.503 1.791 . . . . 0.0 110.996 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.812 ' NE1' HD22 ' A' ' 80' ' ' LEU . 2.9 m95 -69.73 -24.82 63.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 108.016 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.476 ' CA ' ' HB3' ' A' ' 37' ' ' LYS . . . 104.84 30.1 4.99 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.443 1.089 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.584 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 1.6 p90 -148.98 155.76 41.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 0.754 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -119.96 164.1 16.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.295 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.441 HD23 HD13 ' A' ' 33' ' ' ILE . 77.9 mt -128.69 152.69 48.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -156.25 148.38 23.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 110.251 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.477 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 103.46 -158.52 17.28 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 121.34 -173.35 15.58 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.15 -54.62 19.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 0.773 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -57.67 -18.8 22.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -96.83 -15.03 21.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 35.6 t-20 72.25 36.37 1.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.477 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 4.2 ptm -160.89 165.25 17.59 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.09 . . . . 0.0 110.982 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 155.56 42.95 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.519 1.799 . . . . 0.0 110.982 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.486 HD21 ' HA ' ' A' ' 66' ' ' HIS . 5.0 mt -75.29 110.85 9.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 109.268 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -118.84 166.89 12.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 110.398 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.441 HD13 HD23 ' A' ' 21' ' ' LEU . 26.2 mm -78.24 105.11 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.26 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.5 -61.52 1.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.023 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.571 ' HA ' HD11 ' A' ' 49' ' ' ILE . 0.6 OUTLIER -154.8 175.75 13.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.008 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.861 HD12 ' HB3' ' A' ' 43' ' ' SER . 0.3 OUTLIER -115.16 158.47 22.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.476 ' HB3' ' CA ' ' A' ' 18' ' ' GLY . 3.0 tttt -101.91 137.8 39.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -46.1 117.4 1.53 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 46.18 48.31 15.25 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -86.29 -174.71 49.61 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -73.86 -58.42 3.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 0.0 109.324 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 45' ' ' ALA . . . -39.51 -56.66 1.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.861 ' HB3' HD12 ' A' ' 36' ' ' LEU . 70.1 p -47.59 -48.33 28.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.0 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -63.57 -21.43 66.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.277 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 42' ' ' ALA . . . -88.79 13.45 12.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.267 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 11.7 m-70 60.84 37.79 18.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.596 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.402 HG13 ' OD2' ' A' ' 51' ' ' ASP . 43.1 t -95.15 112.69 28.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.351 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.403 ' O ' ' OD1' ' A' ' 51' ' ' ASP . 5.0 mtm180 -101.31 157.76 16.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.32 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.571 HD11 ' HA ' ' A' ' 35' ' ' SER . 2.2 mt -63.2 131.41 28.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 113.4 -14.89 22.78 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.481 1.113 . . . . 0.0 110.974 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 48' ' ' ARG . 23.4 m-20 -54.45 123.58 13.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 0.802 . . . . 0.0 109.359 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 91.1 t -92.76 130.88 41.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.613 HG11 HD11 ' A' ' 56' ' ' ILE . 45.3 t -82.43 110.56 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 78.2 mt -76.78 -47.74 20.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.6 m -143.52 165.14 28.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.006 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.613 HD11 HG11 ' A' ' 53' ' ' VAL . 15.7 mt -142.96 131.48 20.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 26.1 t0 54.63 27.83 9.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 85.79 3.31 85.98 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.489 1.118 . . . . 0.0 111.035 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.412 ' O ' ' N ' ' A' ' 56' ' ' ILE . 3.7 mm -97.98 125.51 51.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 0.775 . . . . 0.0 109.258 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.5 t -66.77 125.42 25.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.008 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -87.51 44.66 1.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.273 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -103.3 41.27 1.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 155.39 44.13 0.02 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.47 1.106 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 31.4 mtm -133.86 139.99 46.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 0.785 . . . . 0.0 110.934 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 17.3 p -86.26 170.33 12.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.387 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.503 ' O ' ' CG ' ' A' ' 70' ' ' GLN . 3.1 t-160 -49.51 -44.92 46.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.581 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 1.006 HD13 ' N ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -58.34 -51.54 69.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.568 1.168 . . . . 0.0 109.283 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 1.006 ' N ' HD13 ' A' ' 67' ' ' LEU . 1.3 mt-10 -47.74 -64.72 0.71 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.125 . . . . 0.0 110.254 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.586 ' O ' HD12 ' A' ' 73' ' ' ILE . . . -48.74 -50.1 35.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.503 ' CG ' ' O ' ' A' ' 66' ' ' HIS . 6.2 mm-40 -55.57 -44.54 76.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.278 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.538 ' OD1' HD21 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -53.53 -51.15 63.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.266 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 75' ' ' ALA . 28.8 mmtt -55.78 -58.63 7.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.565 1.166 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.725 ' HA ' HD11 ' A' ' 80' ' ' LEU . 4.2 mt -50.13 -43.38 21.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.348 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.2 mtpt -65.93 -26.39 67.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 72' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.423 ' HA ' ' O ' ' A' ' 11' ' ' LEU . 2.3 p . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.812 HD22 ' NE1' ' A' ' 17' ' ' TRP . 8.4 tp -120.58 116.81 26.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -109.6 105.11 14.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 24.8 mtm -139.1 149.86 45.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 111.018 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.7 m -100.13 145.19 28.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.423 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 59.4 mt -115.26 160.7 19.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.239 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -105.55 122.28 45.69 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.493 1.121 . . . . 0.0 110.26 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.277 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.8 p -106.46 152.08 24.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 0.765 . . . . 0.0 109.996 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.44 HG21 ' HB1' ' A' ' 45' ' ' ALA . 0.4 OUTLIER -120.8 158.17 23.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.405 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 40.2 t -126.95 124.01 38.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.939 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 30.9 mt -115.53 149.15 38.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 75.4 t -117.54 106.55 20.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -173.92 154.71 20.25 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.494 1.121 . . . . 0.0 110.986 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.708 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 18.5 Cg_endo -74.98 -5.63 17.05 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.447 1.761 . . . . 0.0 111.048 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.725 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . . . 161.47 -49.93 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.725 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.05 78.21 2.96 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.501 1.79 . . . . 0.0 110.961 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.636 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 2.5 m95 -72.94 -23.58 60.7 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.463 ' O ' ' N ' ' A' ' 37' ' ' LYS . . . 106.13 28.15 5.35 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.572 ' CD2' ' HB2' ' A' ' 17' ' ' TRP . 2.3 p90 -150.17 152.07 34.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 0.743 . . . . 0.0 111.032 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.497 ' O ' HD23 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -116.55 163.64 15.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.577 1.173 . . . . 0.0 110.289 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.506 ' CD2' HD13 ' A' ' 33' ' ' ILE . 15.8 mt -123.18 149.58 44.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -150.59 152.54 34.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.319 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.481 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 96.1 -163.64 23.32 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.527 1.142 . . . . 0.0 111.033 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 128.81 174.59 13.77 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.9 ttpt -61.86 -29.29 70.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 0.784 . . . . 0.0 109.327 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -80.01 -20.19 46.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -99.93 0.43 41.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 110.999 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.2 m-20 61.35 39.3 15.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.481 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 7.0 ptm -162.81 163.5 17.57 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 111.016 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 158.45 42.53 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.492 1.786 . . . . 0.0 111.06 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.6 mt -75.75 113.42 13.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -123.23 168.62 12.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.391 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.506 HD13 ' CD2' ' A' ' 21' ' ' LEU . 34.2 mm -78.51 102.09 4.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.462 ' HB3' ' CB ' ' A' ' 20' ' ' ARG . 23.1 t -49.46 -64.43 0.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.994 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.492 ' HA ' HD11 ' A' ' 49' ' ' ILE . 0.6 OUTLIER -145.17 173.87 11.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 0.0 109.966 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.672 HD12 ' HB2' ' A' ' 43' ' ' SER . 0.2 OUTLIER -123.18 152.86 40.79 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 18' ' ' GLY . 14.3 tttt -95.84 134.57 38.65 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.77 126.28 15.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 41.66 53.56 4.37 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -100.54 -173.68 29.61 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -71.77 -57.48 4.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 0.739 . . . . 0.0 109.329 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 45' ' ' ALA . . . -39.83 -64.59 0.47 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.672 ' HB2' HD12 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -47.49 -46.67 27.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.954 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -59.89 -24.91 64.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 110.27 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 42' ' ' ALA . . . -86.53 8.81 20.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.254 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.448 ' O ' ' NH1' ' A' ' 48' ' ' ARG . 19.6 m-70 65.51 45.14 2.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.566 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 87.8 t -105.62 108.24 24.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.448 ' NH1' ' O ' ' A' ' 46' ' ' HIS . 0.1 OUTLIER -95.19 157.52 15.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 110.307 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.492 HD11 ' HA ' ' A' ' 35' ' ' SER . 2.5 mt -62.41 135.09 27.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 107.47 -11.41 39.35 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.497 1.123 . . . . 0.0 110.975 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -59.02 128.92 39.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 0.752 . . . . 0.0 109.273 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 83.5 t -94.5 138.3 21.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.455 HG11 ' CG1' ' A' ' 56' ' ' ILE . 28.5 t -91.34 102.53 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 26.4 mt -68.39 -41.74 80.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.8 p -140.57 168.54 19.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.015 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.455 ' CG1' HG11 ' A' ' 53' ' ' VAL . 35.5 mt -142.09 129.03 19.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 81' ' ' ASN . 8.3 t0 53.95 21.85 3.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 87.04 16.6 60.76 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.538 1.149 . . . . 0.0 111.012 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.3 mt -114.8 152.93 16.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 0.78 . . . . 0.0 109.339 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.63 123.48 21.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 110.013 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -93.83 22.31 5.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -88.72 94.57 9.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 122.32 -51.5 0.79 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.462 1.101 . . . . 0.0 111.006 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 33.2 mtm -41.82 133.47 2.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 0.764 . . . . 0.0 110.964 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.9 p -80.16 169.71 17.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.382 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.447 ' NE2' ' C ' ' A' ' 21' ' ' LEU . 3.8 t-160 -45.96 -59.22 2.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.614 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 1.008 HD13 ' N ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -47.21 -54.39 10.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 109.357 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 1.008 ' N ' HD13 ' A' ' 67' ' ' LEU . 1.4 mt-10 -47.69 -58.7 3.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.711 ' O ' HD12 ' A' ' 73' ' ' ILE . . . -52.32 -41.0 62.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -67.73 -37.82 82.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.281 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.562 ' OD1' HD21 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -59.13 -49.82 76.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 26.0 mmmt -58.17 -52.98 63.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.711 HD12 ' O ' ' A' ' 69' ' ' ALA . 7.7 mt -55.57 -35.97 40.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.251 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -65.06 -46.92 79.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.259 179.982 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.9 p . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.582 ' HB2' ' CH2' ' A' ' 17' ' ' TRP . 15.0 tp -118.84 131.14 56.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.451 ' O ' ' N ' ' A' ' 57' ' ' ASP . 0.7 OUTLIER -126.65 104.86 8.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 25.9 mtm -141.43 151.49 43.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.955 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.9 m -97.71 146.29 25.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.418 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 42.0 mt -116.58 164.48 14.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -116.55 127.41 54.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.358 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.324 179.995 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.2 p -88.57 152.29 21.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 0.746 . . . . 0.0 109.976 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.473 ' CG2' ' N ' ' A' ' 10' ' ' SER . 1.5 p -126.66 164.62 26.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.351 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.473 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 46.8 t -134.23 123.85 24.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.963 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 17.1 mt -113.25 150.46 32.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.33 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.0 p -117.78 106.8 20.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.555 1.159 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -175.16 154.82 19.11 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.451 1.094 . . . . 0.0 111.015 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.71 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.99 -5.71 17.15 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.544 1.813 . . . . 0.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.724 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . . . 161.69 -50.19 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.724 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.01 76.46 3.4 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.454 1.765 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.62 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 2.5 m95 -70.5 -24.52 62.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 108.009 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 104.62 29.65 5.23 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.551 1.157 . . . . 0.0 110.97 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.575 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 1.3 p90 -150.86 145.41 25.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 0.773 . . . . 0.0 110.962 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.9 mtm180 -110.13 169.97 8.38 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.431 1.082 . . . . 0.0 110.264 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.478 ' CD2' HD13 ' A' ' 33' ' ' ILE . 48.3 mt -131.23 148.09 52.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -146.42 142.21 27.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.329 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.475 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 106.49 -163.81 13.53 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.517 1.136 . . . . 0.0 111.016 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 134.41 -171.05 22.4 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.96 -48.3 54.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 0.769 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.462 ' OD1' ' N ' ' A' ' 26' ' ' ASP . 4.5 p-10 -65.11 -22.41 66.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.427 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 7.4 m-85 -87.0 -21.62 26.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.427 ' CB ' ' O ' ' A' ' 27' ' ' PHE . 2.7 t30 77.3 28.42 0.61 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.475 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 3.5 ptm -151.91 165.01 18.38 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.541 1.15 . . . . 0.0 111.013 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 153.69 42.29 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.501 1.79 . . . . 0.0 110.98 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.1 mt -75.62 106.38 7.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.431 HG22 ' O ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -112.67 169.02 9.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 110.412 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.478 HD13 ' CD2' ' A' ' 21' ' ' LEU . 48.6 mm -78.35 100.56 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -47.41 -62.02 1.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.989 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.19 175.11 12.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.997 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.794 HD12 ' HB3' ' A' ' 43' ' ' SER . 0.2 OUTLIER -120.65 167.83 12.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -113.7 139.03 49.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -52.33 120.09 5.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 43.96 52.95 6.63 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.515 1.135 . . . . 0.0 110.982 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -103.89 163.57 15.27 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.88 -57.14 3.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 0.764 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.473 ' CB ' ' HB3' ' A' ' 19' ' ' PHE . . . -43.25 -67.3 0.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.794 ' HB3' HD12 ' A' ' 36' ' ' LEU . 26.8 p -47.55 -48.04 27.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 110.027 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -58.3 -23.73 57.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.099 . . . . 0.0 110.329 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.455 ' HB1' HG21 ' A' ' 9' ' ' VAL . . . -95.14 26.46 3.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.575 1.172 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.417 ' HA ' ' NH2' ' A' ' 48' ' ' ARG . 20.7 m-70 48.31 52.03 14.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.635 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 60.1 t -107.31 98.16 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.417 ' NH2' ' HA ' ' A' ' 46' ' ' HIS . 9.0 mmp_? -86.78 166.06 15.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.115 . . . . 0.0 110.279 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.1 mt -76.92 133.84 30.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 114.86 -13.52 19.95 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.526 1.141 . . . . 0.0 110.998 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.547 ' CG ' HD22 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -56.55 149.14 17.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 0.792 . . . . 0.0 109.312 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.43 ' N ' ' OD1' ' A' ' 51' ' ' ASP . 71.6 t -117.66 115.03 47.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.501 ' CG1' ' O ' ' A' ' 55' ' ' SER . 87.8 t -71.57 100.32 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.402 HD11 ' HB2' ' A' ' 85' ' ' GLN . 82.7 mt -68.29 -40.64 81.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.35 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.501 ' O ' ' CG1' ' A' ' 53' ' ' VAL . 31.9 p -134.28 168.63 18.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.964 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.494 ' CD1' ' HB1' ' A' ' 69' ' ' ALA . 46.3 mt -142.32 99.21 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 109.249 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 81' ' ' ASN . 29.3 t0 65.13 46.53 2.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.9 18.66 74.56 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.561 1.163 . . . . 0.0 110.973 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.6 mm -114.94 142.83 26.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.525 0.779 . . . . 0.0 109.343 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.08 117.75 14.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.115 . . . . 0.0 110.014 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -94.59 31.61 1.75 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -83.61 -57.66 3.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.314 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -105.93 55.31 0.55 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.537 1.148 . . . . 0.0 110.978 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 16.8 mtm -133.05 136.49 45.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 0.747 . . . . 0.0 110.951 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 34.3 p -84.28 160.26 20.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 110.407 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.408 ' CE1' ' O ' ' A' ' 21' ' ' LEU . 3.5 t-160 -44.91 -53.5 7.52 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 109.599 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 15.3 tp -52.89 -59.64 4.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 0.0 109.338 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -47.47 -59.71 3.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.283 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.494 ' HB1' ' CD1' ' A' ' 56' ' ' ILE . . . -51.0 -48.97 61.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.259 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -56.19 -44.45 79.43 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.562 1.163 . . . . 0.0 110.28 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -49.54 -54.39 18.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.407 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 32.1 mmtm -51.61 -58.16 7.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.586 1.179 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.42 ' HA ' HD11 ' A' ' 80' ' ' LEU . 7.1 mt -47.69 -40.68 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.1 mttp -63.92 -40.8 97.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 72' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 0.0 109.274 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.0 p . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.579 ' HB2' ' CH2' ' A' ' 17' ' ' TRP . 11.9 tp -111.62 124.73 52.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.407 ' O ' ' N ' ' A' ' 57' ' ' ASP . 0.8 OUTLIER -119.54 104.84 10.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.34 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 40.2 mtm -138.33 148.38 44.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.2 m -94.74 147.19 23.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.437 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.547 HD22 ' CG ' ' A' ' 51' ' ' ASP . 5.8 mt -118.0 163.8 16.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.402 ' HB2' HD11 ' A' ' 54' ' ' LEU . 19.3 tt0 -115.82 142.89 46.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.6 p -92.27 159.86 15.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 0.781 . . . . 0.0 110.018 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.604 ' CG1' ' HB1' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -121.58 165.65 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.283 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 45.5 t -138.45 114.57 10.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.977 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 39.1 mt -110.82 150.32 29.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 72.3 t -118.09 106.97 20.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.346 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -175.4 156.19 21.64 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.558 1.161 . . . . 0.0 110.99 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.712 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.95 -5.81 17.28 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.488 1.783 . . . . 0.0 111.011 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.722 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . . . 161.67 -50.04 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.722 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -75.02 77.18 3.2 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.503 1.791 . . . . 0.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.614 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 2.3 m95 -71.08 -24.96 62.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 108.022 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.44 ' CA ' ' HB3' ' A' ' 37' ' ' LYS . . . 106.36 28.43 5.18 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.491 1.119 . . . . 0.0 111.031 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.59 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 1.1 p90 -147.91 148.23 30.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.441 0.73 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -113.0 170.98 7.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.133 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.449 ' CD1' HD11 ' A' ' 73' ' ' ILE . 78.8 mt -130.37 155.21 46.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -154.27 151.96 29.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.257 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.499 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 94.61 -157.48 22.4 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.487 1.117 . . . . 0.0 111.015 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 125.51 -170.45 17.41 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.5 mtmt -72.38 -49.27 35.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 0.79 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -64.46 -17.31 63.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -95.25 -15.68 23.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 0.0 111.001 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 70.82 41.46 0.87 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.256 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.499 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 3.5 ptm -164.36 165.75 12.52 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.107 . . . . 0.0 111.024 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 154.55 42.42 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.497 1.788 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.6 mt -75.19 116.14 15.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -123.76 166.24 15.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.387 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.476 HG21 ' CD2' ' A' ' 36' ' ' LEU . 19.7 mm -78.46 103.87 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.15 -63.43 1.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 110.01 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -150.63 176.32 11.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.0 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.535 HD11 ' HB3' ' A' ' 42' ' ' ALA . 0.5 OUTLIER -124.01 163.09 22.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.312 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.44 ' HB3' ' CA ' ' A' ' 18' ' ' GLY . 18.3 tttt -111.38 141.58 44.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -55.75 123.24 13.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 52.04 50.99 42.97 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -102.79 159.03 17.65 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.82 -52.89 36.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 0.785 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.535 ' HB3' HD11 ' A' ' 36' ' ' LEU . . . -46.68 -64.58 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.435 ' N ' HD11 ' A' ' 36' ' ' LEU . 1.7 t -47.84 -47.64 31.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.009 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -61.68 -22.14 65.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.276 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.604 ' HB1' ' CG1' ' A' ' 9' ' ' VAL . . . -92.85 21.2 5.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.421 ' HA ' ' NH2' ' A' ' 48' ' ' ARG . 12.8 m-70 54.31 50.35 16.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.62 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 39.8 t -108.27 98.63 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.421 ' NH2' ' HA ' ' A' ' 46' ' ' HIS . 8.9 mmp_? -87.72 165.59 15.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 22.6 mm -71.57 138.85 20.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.63 -14.11 56.43 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.45 1.094 . . . . 0.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -53.79 127.77 27.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 0.766 . . . . 0.0 109.26 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 73.9 t -94.96 125.63 47.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.464 ' CG1' HG13 ' A' ' 56' ' ' ILE . 26.9 t -83.47 114.08 23.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 22.6 mt -80.44 -34.03 36.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.3 p -145.9 163.44 35.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 110.034 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.636 ' CD1' ' HB1' ' A' ' 69' ' ' ALA . 19.1 mt -140.48 99.14 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 81' ' ' ASN . 2.8 t0 72.76 43.65 0.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.68 13.95 69.33 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.515 1.134 . . . . 0.0 110.95 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.464 HG13 ' CE ' ' A' ' 72' ' ' LYS . 2.7 mm -109.27 143.26 19.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.451 0.736 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.89 119.64 16.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 110.031 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -94.82 25.7 3.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -84.74 -59.52 2.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.253 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -98.68 48.82 1.33 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.497 1.123 . . . . 0.0 110.953 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 19.2 mtm -132.96 139.4 47.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 0.785 . . . . 0.0 111.041 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.0 p -77.61 171.57 14.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.397 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -57.5 -56.76 17.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.607 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 1.037 HD13 ' N ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -49.82 -49.0 50.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.342 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 1.037 ' N ' HD13 ' A' ' 67' ' ' LEU . 51.3 mm-40 -49.09 -65.14 0.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.332 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.636 ' HB1' ' CD1' ' A' ' 56' ' ' ILE . . . -46.17 -40.68 11.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.595 ' HA ' HD12 ' A' ' 73' ' ' ILE . 2.6 mt-30 -67.55 -38.77 84.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 110.317 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.545 ' OD1' HD21 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -58.7 -48.24 81.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.267 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.688 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 29.4 mmtm -54.48 -48.3 71.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.595 HD12 ' HA ' ' A' ' 70' ' ' GLN . 6.6 mt -50.48 -47.97 26.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.5 -23.89 66.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.359 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.688 ' HB3' ' O ' ' A' ' 72' ' ' LYS . . . . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.583 ' HB2' ' CH2' ' A' ' 17' ' ' TRP . 11.1 tp -108.8 144.82 36.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.427 ' O ' ' N ' ' A' ' 57' ' ' ASP . 0.6 OUTLIER -135.3 104.9 6.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.507 ' O ' HG23 ' A' ' 9' ' ' VAL . 21.3 mtm -136.36 155.48 50.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 111.029 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.1 m -103.77 142.75 33.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.426 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 43.3 mt -114.74 152.52 31.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -95.08 118.6 32.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.258 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.279 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.7 m -90.48 169.21 11.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 0.752 . . . . 0.0 110.017 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.474 HG22 ' N ' ' A' ' 10' ' ' SER . 1.7 p -142.58 165.22 16.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.474 ' N ' HG22 ' A' ' 9' ' ' VAL . 36.8 t -136.06 129.37 31.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.962 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.483 HD13 ' HB3' ' A' ' 17' ' ' TRP . 30.0 mt -116.22 147.24 41.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.2 p -118.61 106.39 19.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.265 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -174.62 156.38 22.88 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.477 1.111 . . . . 0.0 111.015 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.715 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 18.1 Cg_endo -74.99 -4.45 15.43 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.475 1.776 . . . . 0.0 110.99 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.722 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . . . 161.78 -50.07 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.722 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.94 78.51 2.86 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.463 1.77 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.587 ' CZ2' ' HB2' ' A' ' 80' ' ' LEU . 2.8 m95 -71.5 -25.7 62.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 108.013 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.474 ' CA ' ' HB3' ' A' ' 37' ' ' LYS . . . 103.57 30.87 5.1 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.524 1.14 . . . . 0.0 110.99 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.61 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 0.7 OUTLIER -150.2 141.97 23.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 0.779 . . . . 0.0 110.984 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.58 171.0 7.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.45 ' CD2' HD13 ' A' ' 33' ' ' ILE . 40.6 mt -131.54 157.13 44.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -160.67 142.67 12.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.475 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 107.01 -156.76 15.87 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.532 1.145 . . . . 0.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 119.34 -162.44 13.69 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.617 ' HB3' HG22 ' A' ' 65' ' ' THR . 3.2 ttmm -76.04 -49.45 17.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 0.762 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -60.33 -20.33 58.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -100.98 -6.33 24.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 59.92 47.34 10.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.475 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 3.5 ptm -165.97 165.57 10.57 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 110.992 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 154.64 42.61 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.525 1.803 . . . . 0.0 110.996 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.598 HD21 ' HA ' ' A' ' 66' ' ' HIS . 3.7 mt -74.99 115.44 14.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -122.91 167.25 13.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.373 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.45 HD13 ' CD2' ' A' ' 21' ' ' LEU . 50.3 mm -78.38 103.63 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.16 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -47.62 -54.41 11.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.001 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -159.89 175.95 12.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.997 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.861 HD12 ' HB2' ' A' ' 43' ' ' SER . 0.3 OUTLIER -117.3 167.91 10.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.26 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.474 ' HB3' ' CA ' ' A' ' 18' ' ' GLY . 35.3 tttt -117.32 129.78 56.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -41.85 127.58 3.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 38.72 56.4 2.07 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -104.86 160.45 15.38 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.12 -52.35 26.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 0.742 . . . . 0.0 109.286 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.477 ' CB ' ' HB3' ' A' ' 19' ' ' PHE . . . -45.71 -66.43 0.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.861 ' HB2' HD12 ' A' ' 36' ' ' LEU . 12.7 t -47.44 -46.54 26.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.021 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -55.39 -25.45 35.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.323 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 42' ' ' ALA . . . -88.04 11.24 16.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 13.4 m170 64.4 37.98 7.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.577 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.461 HG22 HD11 ' A' ' 84' ' ' LEU . 97.3 t -93.16 114.75 30.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.1 mtm180 -99.43 163.93 12.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 110.337 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.3 mt -69.61 135.91 27.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 105.54 -12.5 47.05 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.535 1.147 . . . . 0.0 110.966 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.424 ' OD2' HD13 ' A' ' 84' ' ' LEU . 34.6 m-20 -55.17 131.43 45.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 0.754 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 79.1 t -97.74 125.79 50.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.478 ' CG1' ' O ' ' A' ' 55' ' ' SER . 71.8 t -80.48 106.38 11.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.44 HD21 ' HB2' ' A' ' 85' ' ' GLN . 54.8 mt -72.38 -38.3 68.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.082 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.478 ' O ' ' CG1' ' A' ' 53' ' ' VAL . 9.4 p -141.29 170.9 14.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.999 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.563 HG22 ' HB3' ' A' ' 72' ' ' LYS . 90.3 mt -144.45 94.17 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.095 . . . . 0.0 109.338 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 75.26 42.06 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 72.89 9.31 75.29 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.3 mm -102.05 141.45 18.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 0.75 . . . . 0.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.02 119.48 14.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.027 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -93.99 24.86 3.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -90.94 82.7 5.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.339 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 131.12 -46.36 1.08 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.522 1.139 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 44.3 mtm -47.03 123.36 5.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 0.753 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.617 HG22 ' HB3' ' A' ' 25' ' ' LYS . 16.1 p -76.23 171.36 14.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 110.387 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.598 ' HA ' HD21 ' A' ' 31' ' ' LEU . 2.4 t-160 -39.95 -59.29 1.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.621 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.966 HD13 ' N ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -48.68 -61.5 2.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.966 ' N ' HD13 ' A' ' 67' ' ' LEU . 2.5 mt-10 -42.19 -53.5 4.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.118 . . . . 0.0 110.279 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.1 -47.28 85.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.441 1.088 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -58.91 -43.57 91.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.271 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.609 ' OD1' HD21 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -57.15 -46.81 82.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.72 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 14.5 mmmt -53.79 -56.6 16.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.547 HG12 HD21 ' A' ' 80' ' ' LEU . 5.0 mt -46.12 -53.49 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.25 -32.52 16.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.72 ' HB3' ' O ' ' A' ' 72' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.1 p . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.587 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 13.7 tp -117.47 128.17 54.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.402 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.9 OUTLIER -122.18 105.14 9.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.567 ' SD ' HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -128.11 165.69 19.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.2 m -114.45 146.95 40.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.394 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.461 HD11 HG22 ' A' ' 47' ' ' VAL . 39.1 mt -116.38 163.48 15.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.44 ' HB2' HD21 ' A' ' 54' ' ' LEU . 33.9 tt0 -110.82 123.68 50.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.332 179.979 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.3 t -99.55 161.69 13.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 0.741 . . . . 0.0 109.964 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.505 HG22 ' N ' ' A' ' 10' ' ' SER . 2.4 p -129.73 166.34 27.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.505 ' N ' HG22 ' A' ' 9' ' ' VAL . 42.8 t -138.24 119.06 14.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.997 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 20.7 mt -108.68 149.41 29.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.426 ' O ' HG13 ' A' ' 12' ' ' VAL . 7.6 p -116.65 106.21 19.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -176.68 155.59 18.9 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.524 1.14 . . . . 0.0 111.021 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.713 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -74.97 -6.0 17.51 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.524 1.802 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.713 ' HB2' ' O ' ' A' ' 14' ' ' PRO . . . 161.37 -49.71 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.71 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.96 76.63 3.33 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.491 1.785 . . . . 0.0 111.008 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.625 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 2.6 m95 -70.86 -24.36 62.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 107.986 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.642 ' O ' HD13 ' A' ' 36' ' ' LEU . . . 105.02 24.75 7.09 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.44 1.088 . . . . 0.0 111.026 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.589 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 1.0 OUTLIER -144.76 153.07 41.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 0.745 . . . . 0.0 111.03 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -117.67 175.62 5.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.264 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.413 ' O ' ' CE1' ' A' ' 66' ' ' HIS . 50.5 mt -136.53 147.51 47.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -143.5 148.64 36.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.247 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.479 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 105.64 -161.34 14.58 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 28' ' ' ASN . . . 127.36 166.31 12.08 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.64 -42.29 64.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 0.784 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -64.48 -31.46 72.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.313 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -86.72 -17.73 32.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 111.0 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 24' ' ' GLY . 4.9 t-20 73.12 42.48 0.44 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.479 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 4.1 ptm -161.29 164.77 18.01 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 156.37 42.95 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.517 1.799 . . . . 0.0 111.013 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.401 ' O ' ' HA ' ' A' ' 52' ' ' VAL . 4.1 mt -75.38 111.05 10.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -117.51 168.73 10.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.397 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.631 HG21 ' CD2' ' A' ' 36' ' ' LEU . 19.7 mm -78.41 102.26 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.244 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.47 -59.99 3.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.992 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -151.82 176.68 11.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 110.017 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.957 HD11 ' HB3' ' A' ' 42' ' ' ALA . 0.2 OUTLIER -133.87 147.89 51.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 109.344 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.93 133.3 35.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -44.43 119.01 1.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 58.79 43.4 96.54 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.525 1.14 . . . . 0.0 110.965 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -91.17 159.05 26.1 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 45' ' ' ALA . 0.1 OUTLIER -46.69 -64.84 0.67 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 0.776 . . . . 0.0 109.271 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.957 ' HB3' HD11 ' A' ' 36' ' ' LEU . . . -42.9 -49.34 5.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.5 t -55.59 -39.92 71.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.994 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 41' ' ' LYS . 0.5 OUTLIER -82.67 -14.26 54.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.261 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.478 ' HB1' HG21 ' A' ' 9' ' ' VAL . . . -88.13 12.91 12.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 29.4 m-70 66.6 34.08 6.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.589 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 96.2 t -96.65 110.33 24.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.7 mtm180 -101.53 133.86 45.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.325 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.1 mt -42.16 134.61 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 108.14 -15.05 36.69 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.48 1.113 . . . . 0.0 110.993 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -56.81 127.77 33.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.769 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.401 ' HA ' ' O ' ' A' ' 31' ' ' LEU . 72.5 t -93.24 133.18 35.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.415 HG11 ' CG1' ' A' ' 56' ' ' ILE . 22.6 t -86.01 102.21 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.092 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.538 HD21 ' HB2' ' A' ' 85' ' ' GLN . 41.5 mt -69.23 -41.22 77.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 2.2 p -139.22 166.35 24.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 110.003 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.505 HG22 ' HB3' ' A' ' 72' ' ' LYS . 74.2 mt -140.44 109.9 3.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 81' ' ' ASN . 1.1 t70 62.38 35.56 14.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 0.0 109.299 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 79.28 15.19 80.6 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.444 1.09 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.407 ' O ' ' HA ' ' A' ' 55' ' ' SER . 2.4 mm -108.97 139.52 31.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.476 0.75 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.04 124.12 22.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.979 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -97.87 29.11 3.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.341 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.88 43.44 1.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 110.28 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 157.53 44.67 0.02 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.482 1.113 . . . . 0.0 110.981 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 23.1 mtm -133.63 133.55 42.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 0.781 . . . . 0.0 111.034 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 55.5 p -79.41 161.02 26.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 110.394 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.413 ' CE1' ' O ' ' A' ' 21' ' ' LEU . 1.8 t-160 -46.96 -58.61 3.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.586 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 11.0 tp -46.72 -53.97 10.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.337 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -55.83 -58.4 8.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.283 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.436 ' O ' HD12 ' A' ' 73' ' ' ILE . . . -50.9 -48.55 60.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.165 . . . . 0.0 109.319 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -55.91 -43.99 77.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.274 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.72 -50.41 72.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.619 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 22.4 mmtm -46.58 -59.29 3.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.595 ' HA ' HD11 ' A' ' 80' ' ' LEU . 3.0 mt -42.85 -50.32 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.449 1.093 . . . . 0.0 109.353 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.09 -41.64 48.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.619 ' HB3' ' O ' ' A' ' 72' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.3 p . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.595 HD11 ' HA ' ' A' ' 73' ' ' ILE . 10.0 tp -105.87 137.87 43.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 57' ' ' ASP . 0.6 OUTLIER -129.91 104.64 7.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 33.5 mtm -140.71 147.09 38.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.157 . . . . 0.0 111.009 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.401 ' O ' HD23 ' A' ' 84' ' ' LEU . 7.0 m -93.95 149.62 21.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.403 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.401 HD23 ' O ' ' A' ' 83' ' ' THR . 48.1 mt -117.63 163.38 16.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.538 ' HB2' HD21 ' A' ' 54' ' ' LEU . 27.0 tt0 -112.39 150.58 30.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.9 p -101.95 141.49 34.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 0.772 . . . . 0.0 109.987 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -155.93 160.09 39.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.01 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.55 97.79 0.17 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.522 1.139 . . . . 0.0 110.97 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.74 154.74 41.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 0.754 . . . . 0.0 110.012 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.5 p -43.75 161.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.989 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.37 140.68 3.12 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.56 1.163 . . . . 0.0 110.984 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 43.8 t -93.57 162.92 13.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 0.742 . . . . 0.0 110.017 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.455 ' CG2' ' N ' ' A' ' 10' ' ' SER . 0.8 OUTLIER -138.5 162.66 29.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.455 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 39.4 t -131.94 136.42 47.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.017 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.481 ' HB2' ' CE3' ' A' ' 17' ' ' TRP . 7.0 mt -120.3 153.38 36.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.444 ' O ' HG13 ' A' ' 12' ' ' VAL . 7.4 p -117.56 106.61 20.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -178.05 153.56 13.31 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.462 1.101 . . . . 0.0 110.981 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.709 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 18.1 Cg_endo -75.01 -6.19 17.73 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.491 1.785 . . . . 0.0 110.997 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.72 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . . . 161.94 -50.36 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.72 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.01 77.41 3.14 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.538 1.81 . . . . 0.0 110.975 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.63 ' CZ2' HD13 ' A' ' 80' ' ' LEU . 1.8 m95 -71.02 -24.04 62.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 108.021 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.58 -16.07 24.16 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.522 1.138 . . . . 0.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.521 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 1.2 p90 -105.28 156.81 17.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 0.779 . . . . 0.0 111.01 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.437 ' O ' HD23 ' A' ' 21' ' ' LEU . 4.8 mmt180 -122.29 174.09 7.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.293 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.667 HD11 HD11 ' A' ' 73' ' ' ILE . 15.2 mt -122.64 145.92 47.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -146.1 136.88 24.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.486 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 106.61 -158.32 15.37 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.526 1.141 . . . . 0.0 110.999 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 124.99 174.81 14.06 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.1 -44.43 96.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 0.742 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -63.75 -22.96 67.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.464 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 11.2 m-85 -92.73 -20.29 20.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.998 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.464 ' CB ' ' O ' ' A' ' 27' ' ' PHE . 9.6 t-20 80.46 33.12 0.16 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.486 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 4.1 ptm -156.4 164.76 20.39 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 111.004 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 156.78 42.9 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.499 1.789 . . . . 0.0 110.983 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.4 mt -75.25 115.75 15.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -123.88 170.44 10.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 110.399 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 21.2 mm -78.58 100.92 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.5 t -53.16 -67.15 0.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.015 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.425 ' HA ' HD11 ' A' ' 49' ' ' ILE . 0.6 OUTLIER -145.09 177.59 8.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.992 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.917 HD21 ' HB3' ' A' ' 42' ' ' ALA . 0.3 OUTLIER -148.28 161.17 42.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.2 tttp -95.71 159.51 14.95 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -55.01 119.67 5.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 40.47 53.59 3.49 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.501 1.126 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -89.25 175.2 42.65 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.9 -64.03 0.79 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 0.752 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.917 ' HB3' HD21 ' A' ' 36' ' ' LEU . . . -45.29 -46.38 12.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 18.3 t -62.85 -41.04 99.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.975 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -64.06 -22.27 66.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 110.293 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -93.77 10.78 31.63 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 9.8 m170 62.01 51.44 3.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.436 1.085 . . . . 0.0 109.589 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.61 HG13 ' OD2' ' A' ' 51' ' ' ASP . 76.7 t -105.77 117.95 52.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 -102.43 157.86 16.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.305 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.425 HD11 ' HA ' ' A' ' 35' ' ' SER . 2.2 mt -65.21 130.21 30.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 116.41 -15.85 14.92 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.543 1.152 . . . . 0.0 110.953 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.61 ' OD2' HG13 ' A' ' 47' ' ' VAL . 93.2 m-20 -57.99 129.13 40.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 0.773 . . . . 0.0 109.271 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 71.1 t -95.62 131.54 42.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.449 HG11 ' CG1' ' A' ' 56' ' ' ILE . 37.1 t -85.62 107.71 16.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 52.8 mt -74.17 -31.77 62.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.437 ' O ' ' CG1' ' A' ' 53' ' ' VAL . 1.8 p -146.03 158.6 43.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.039 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.757 ' CD1' ' HB1' ' A' ' 69' ' ' ALA . 11.5 mt -133.91 106.15 8.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.165 . . . . 0.0 109.297 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 81' ' ' ASN . 24.4 t0 68.04 37.01 3.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.122 . . . . 0.0 109.344 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 80.61 -2.12 79.91 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.545 1.153 . . . . 0.0 111.058 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.5 mm -94.72 152.43 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.518 0.775 . . . . 0.0 109.346 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.36 121.64 25.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.999 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -98.81 36.52 1.66 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -87.68 -51.49 5.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.335 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -109.03 47.84 1.0 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.552 1.157 . . . . 0.0 110.978 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 14.0 mtm -128.46 130.94 48.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 0.766 . . . . 0.0 111.001 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.3 p -73.63 171.38 13.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 110.409 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -53.69 -53.38 52.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.647 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 1.01 HD13 ' N ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -53.08 -48.02 68.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 1.01 ' N ' HD13 ' A' ' 67' ' ' LEU . 0.9 OUTLIER -49.81 -68.37 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 110.291 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.757 ' HB1' ' CD1' ' A' ' 56' ' ' ILE . . . -45.33 -38.36 5.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -68.15 -37.79 81.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 110.322 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.516 ' OD1' HD21 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -59.9 -48.26 82.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.52 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 35.3 mmtt -58.96 -53.57 56.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.239 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.667 HD11 HD11 ' A' ' 21' ' ' LEU . 17.1 mt -48.86 -44.01 14.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.118 . . . . 0.0 109.286 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -63.22 -33.99 76.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' A' ' 72' ' ' LYS . . . -61.82 -44.22 97.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.45 ' HB2' ' CD1' ' A' ' 80' ' ' LEU . 1.7 m -69.49 128.54 36.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 108.325 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.426 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 41.7 p -120.05 -41.53 2.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.38 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -73.37 -68.87 1.49 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.534 1.146 . . . . 0.0 110.994 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.6 p -137.79 162.15 34.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 0.773 . . . . 0.0 109.977 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.63 HD13 ' CZ2' ' A' ' 17' ' ' TRP . 8.9 tp -113.41 118.94 35.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 57' ' ' ASP . 1.3 m-80 -110.04 104.89 13.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.469 ' HE1' ' CZ ' ' A' ' 19' ' ' PHE . 33.7 mtm -134.73 159.6 40.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 111.017 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.8 m -109.9 147.48 33.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 110.428 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 40.0 mt -113.43 166.17 11.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.086 . . . . 0.0 109.362 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -114.2 131.45 56.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.295 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.5 152.83 35.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.345 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -147.5 106.93 3.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.3 m 41.63 -162.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.02 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -81.97 138.94 34.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.147 . . . . 0.0 109.343 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -108.74 72.86 0.84 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.424 1.077 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -168.2 132.46 1.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.66 144.31 50.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -128.43 127.38 42.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.01 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -99.36 118.66 61.98 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 143.48 29.03 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.516 1.798 . . . . 0.0 111.036 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.6 p -84.6 146.56 6.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.128 . . . . 0.0 109.276 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.8 m -119.42 147.28 44.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.954 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -158.31 159.07 35.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 110.031 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -131.78 157.09 22.23 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.504 1.127 . . . . 0.0 110.989 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 177.15 8.98 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.523 1.802 . . . . 0.0 110.97 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -121.14 149.03 43.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.958 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 48.5 p -83.68 145.36 28.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 110.024 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.454 1.096 . . . . 0.0 111.003 -179.967 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.35 161.13 25.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 0.764 . . . . 0.0 110.009 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.77 99.81 7.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.032 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.92 -119.52 1.95 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.15 -69.03 0.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 0.795 . . . . 0.0 110.0 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 p 54.13 170.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.995 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.1 146.76 4.4 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.541 1.151 . . . . 0.0 110.979 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 82.9 p -93.76 166.74 12.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 0.774 . . . . 0.0 109.993 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.411 ' CG2' ' N ' ' A' ' 10' ' ' SER . 0.5 OUTLIER -143.67 159.31 16.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.411 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 48.2 t -134.26 124.03 25.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 110.001 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 52.5 mt -110.52 148.96 31.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.9 p -115.75 106.57 20.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -174.99 156.59 22.88 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.529 1.143 . . . . 0.0 110.981 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.703 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -75.0 -6.03 17.55 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.463 1.77 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.735 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . . . 162.14 -50.38 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.735 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.99 78.35 2.91 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.519 1.8 . . . . 0.0 111.035 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.624 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 1.8 m95 -72.38 -25.05 61.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 107.989 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.468 ' CA ' ' HB3' ' A' ' 37' ' ' LYS . . . 106.85 27.28 5.48 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.596 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 0.9 OUTLIER -147.67 150.48 34.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 110.959 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.402 ' CB ' ' OG ' ' A' ' 34' ' ' SER . 5.2 mtt180 -116.91 171.72 7.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.309 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.449 ' O ' ' CE1' ' A' ' 66' ' ' HIS . 80.8 mt -130.19 153.75 48.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.553 1.158 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -154.56 144.05 21.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.28 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.473 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 107.2 -160.27 14.22 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.52 1.138 . . . . 0.0 110.951 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 127.49 -179.37 16.47 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.9 ttpp -70.77 -27.57 64.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 0.768 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -76.0 -24.33 55.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.437 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 9.8 m-85 -97.43 -17.61 19.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.972 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.437 ' CB ' ' O ' ' A' ' 27' ' ' PHE . 2.4 t-20 77.12 44.57 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.473 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 4.1 ptm -162.9 164.48 16.22 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 111.043 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 156.64 43.03 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.45 1.763 . . . . 0.0 111.035 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 mt -75.5 110.25 9.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -116.23 168.01 10.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.393 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.456 HG21 HD23 ' A' ' 36' ' ' LEU . 24.8 mm -78.56 99.25 2.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.417 ' HB3' ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -43.95 -56.51 3.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 109.99 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.08 177.12 11.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 110.069 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.755 HD12 ' HB3' ' A' ' 43' ' ' SER . 0.2 OUTLIER -121.67 167.72 12.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.25 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.468 ' HB3' ' CA ' ' A' ' 18' ' ' GLY . 8.7 tttp -116.01 137.76 51.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.13 126.13 13.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 42.0 56.64 3.78 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.536 1.147 . . . . 0.0 111.009 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -105.95 161.61 14.32 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.52 -48.8 56.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 0.785 . . . . 0.0 109.35 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.465 ' CB ' ' HB3' ' A' ' 19' ' ' PHE . . . -48.99 -65.46 0.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.755 ' HB3' HD12 ' A' ' 36' ' ' LEU . 14.2 p -47.04 -47.21 22.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.008 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -55.45 -27.28 47.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 110.299 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 42' ' ' ALA . . . -87.48 11.05 15.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 63.78 43.18 5.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.571 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.412 HG23 ' HB3' ' A' ' 45' ' ' ALA . 61.1 t -96.57 113.93 32.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.3 mtm180 -102.59 164.42 11.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.2 mt -70.69 134.56 29.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.333 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 108.15 -17.09 35.11 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -54.43 127.72 28.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 0.768 . . . . 0.0 109.335 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 73.3 t -94.7 132.97 37.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.573 1.171 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.499 HG11 ' CG1' ' A' ' 56' ' ' ILE . 47.1 t -87.82 108.16 18.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.253 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.539 HD21 ' HB2' ' A' ' 85' ' ' GLN . 20.4 mt -73.79 -36.44 65.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.449 ' O ' ' CG1' ' A' ' 53' ' ' VAL . 4.8 p -143.85 167.89 21.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.025 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.561 ' CD1' ' HB1' ' A' ' 69' ' ' ALA . 54.4 mt -143.06 96.27 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 81' ' ' ASN . 11.1 t0 71.31 44.51 0.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 73.75 1.93 59.77 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.451 1.094 . . . . 0.0 111.002 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.569 HG21 ' HE2' ' A' ' 72' ' ' LYS . 16.8 mm -92.87 140.44 16.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 0.756 . . . . 0.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.27 117.34 14.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.992 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -92.67 31.13 1.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -93.5 92.11 7.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 110.278 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 92.54 39.09 5.4 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -110.06 136.04 49.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 0.764 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.1 p -75.65 156.65 34.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.413 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.449 ' CE1' ' O ' ' A' ' 21' ' ' LEU . 2.0 t-160 -50.13 -51.66 41.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.619 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.4 tp -50.97 -53.14 35.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -49.22 -70.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 110.315 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.561 ' HB1' ' CD1' ' A' ' 56' ' ' ILE . . . -43.32 -49.71 6.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.444 ' HA ' HD12 ' A' ' 73' ' ' ILE . 14.4 mm100 -54.44 -44.97 72.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -53.58 -47.0 70.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.097 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.569 ' HE2' HG21 ' A' ' 59' ' ' ILE . 40.0 mmtm -56.55 -44.95 81.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.597 HG12 HD21 ' A' ' 80' ' ' LEU . 4.8 mt -59.56 -29.21 41.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.1 mttp -79.23 -15.38 58.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -94.47 14.14 21.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.325 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.413 ' SG ' ' O ' ' A' ' 76' ' ' CYS . 27.2 p -67.37 95.52 0.45 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.451 1.094 . . . . 0.0 108.321 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 6.8 t -52.74 -25.39 11.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.387 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -172.63 -58.07 0.05 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.0 p -110.17 164.75 12.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 0.742 . . . . 0.0 110.064 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.597 HD21 HG12 ' A' ' 73' ' ' ILE . 11.0 tp -116.03 116.37 27.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.098 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.406 ' O ' ' N ' ' A' ' 57' ' ' ASP . 1.2 m-80 -109.9 104.71 13.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 41.2 mtm -133.32 162.18 32.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.8 m -112.57 146.22 38.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.43 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 28.7 mt -113.37 166.91 11.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.539 ' HB2' HD21 ' A' ' 54' ' ' LEU . 0.3 OUTLIER -116.22 139.64 50.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 110.266 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.427 ' N ' ' HG2' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -76.42 150.47 36.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 110.276 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -125.41 104.2 8.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.3 t -115.15 154.39 29.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.017 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . 63.0 69.07 0.6 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -152.06 73.57 1.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.277 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -152.64 113.38 4.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.51 -14.66 60.01 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 94.0 p -115.92 136.78 52.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.998 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -105.78 149.95 38.58 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 105.36 2.07 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.474 1.776 . . . . 0.0 110.97 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 76.7 t -93.82 124.72 46.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 63.4 m -75.57 157.84 33.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.05 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.0 t -158.62 112.82 2.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.984 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -47.93 104.86 0.09 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.549 1.156 . . . . 0.0 111.023 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 177.43 8.6 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.478 1.778 . . . . 0.0 110.967 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.02 151.98 40.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.03 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 87.4 p -105.24 149.32 26.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.023 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 -179.995 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 69.37 85.29 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 0.763 . . . . 0.0 110.035 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.7 p -170.08 124.29 0.74 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.028 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.86 162.21 34.96 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.466 1.103 . . . . 0.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.7 t -173.62 -59.22 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 0.801 . . . . 0.0 109.984 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.1 t 62.37 167.02 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.99 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.87 131.77 2.39 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.0 m -90.29 156.35 18.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 0.765 . . . . 0.0 109.977 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.543 ' CG2' ' HB1' ' A' ' 45' ' ' ALA . 1.7 p -130.85 165.63 30.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.482 ' N ' HG22 ' A' ' 9' ' ' VAL . 46.5 t -138.03 122.41 18.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.997 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.444 HD12 ' HE2' ' A' ' 19' ' ' PHE . 32.1 mt -111.27 150.29 29.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 76.7 t -117.31 106.86 20.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -175.3 154.83 18.94 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.507 1.13 . . . . 0.0 110.996 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.719 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 18.0 Cg_endo -75.08 -5.27 16.55 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.464 1.771 . . . . 0.0 110.974 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.73 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . . . 161.52 -50.19 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.73 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -74.99 76.88 3.27 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.52 1.8 . . . . 0.0 110.961 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.606 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 2.7 m95 -70.59 -24.83 62.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 108.018 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.445 ' CA ' ' HB3' ' A' ' 37' ' ' LYS . . . 103.93 30.15 5.25 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.512 1.132 . . . . 0.0 111.002 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.58 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 1.2 p90 -151.69 149.76 29.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 0.756 . . . . 0.0 111.048 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.42 ' O ' HD23 ' A' ' 21' ' ' LEU . 6.4 mmt85 -112.09 175.37 5.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.516 ' O ' ' CE1' ' A' ' 66' ' ' HIS . 64.3 mt -137.38 145.25 43.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.0 pt20 -146.01 150.91 36.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.331 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.473 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 101.61 -159.86 18.29 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 122.34 -175.97 16.44 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.69 -44.68 89.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 0.782 . . . . 0.0 109.351 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -63.82 -24.31 67.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -96.33 -3.58 43.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.4 m120 61.81 36.08 16.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.324 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.473 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 3.6 ptm -157.0 164.17 22.6 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 156.53 43.28 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.454 1.765 . . . . 0.0 111.038 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 mt -75.32 114.99 14.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -123.24 168.4 12.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 110.439 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.61 HG21 ' CD2' ' A' ' 36' ' ' LEU . 50.1 mm -78.16 98.49 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.7 t -48.49 -62.37 1.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.994 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -145.59 173.66 11.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.997 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.839 HD12 ' HB2' ' A' ' 43' ' ' SER . 0.4 OUTLIER -121.28 168.35 11.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 109.263 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.445 ' HB3' ' CA ' ' A' ' 18' ' ' GLY . 13.9 tttp -116.65 137.66 52.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.36 125.13 13.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 43.88 53.69 6.25 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.565 1.165 . . . . 0.0 110.993 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -104.89 153.7 17.36 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -42.92 -57.27 2.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 0.78 . . . . 0.0 109.258 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.529 ' HB2' ' HD2' ' A' ' 19' ' ' PHE . . . -42.42 -68.01 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.346 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.839 ' HB2' HD12 ' A' ' 36' ' ' LEU . 1.9 t -47.94 -48.65 31.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.0 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -61.48 -20.86 63.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.323 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.543 ' HB1' ' CG2' ' A' ' 9' ' ' VAL . . . -94.2 20.76 7.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.411 ' HA ' ' NH2' ' A' ' 48' ' ' ARG . 21.7 m-70 58.35 50.66 9.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.102 . . . . 0.0 109.556 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.454 HG12 HD21 ' A' ' 36' ' ' LEU . 36.3 t -108.41 99.18 8.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.457 ' NH2' ' O ' ' A' ' 43' ' ' SER . 8.9 mmp_? -89.73 166.85 13.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.305 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.2 mt -75.23 134.85 28.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 106.1 -14.47 44.33 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.458 1.099 . . . . 0.0 110.99 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -56.21 123.99 16.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 0.771 . . . . 0.0 109.274 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 79.7 t -90.29 135.17 27.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.276 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.445 HG11 ' CG1' ' A' ' 56' ' ' ILE . 67.6 t -89.22 99.81 9.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.536 HD12 ' O ' ' A' ' 84' ' ' LEU . 23.4 mt -62.82 -47.09 84.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.8 p -137.31 173.79 11.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.019 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.445 ' CG1' HG11 ' A' ' 53' ' ' VAL . 91.8 mt -144.76 85.93 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 81' ' ' ASN . 11.8 t0 74.06 56.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.336 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 63.86 11.41 43.66 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.477 1.111 . . . . 0.0 111.026 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.4 mm -107.7 136.68 42.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 0.761 . . . . 0.0 109.26 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.39 127.48 32.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.019 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -103.24 25.91 8.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.345 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -83.06 -48.48 10.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.324 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -109.67 48.57 0.92 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.526 1.141 . . . . 0.0 111.016 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 10.9 mtm -130.97 134.99 47.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 0.749 . . . . 0.0 111.0 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 74.5 p -84.23 164.98 18.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.394 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.516 ' CE1' ' O ' ' A' ' 21' ' ' LEU . 2.0 t-160 -45.75 -52.05 11.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.638 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 21.3 tp -56.15 -52.98 62.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.137 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -50.59 -56.72 10.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.01 -49.11 76.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -56.11 -43.86 78.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 110.264 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -51.2 -52.86 40.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.544 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 0.8 OUTLIER -50.21 -62.1 1.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 4.2 mt -46.12 -52.61 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.326 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt -50.44 -37.57 38.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.544 ' HB3' ' O ' ' A' ' 72' ' ' LYS . . . -65.21 -38.51 90.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 88.2 m -60.23 105.48 0.42 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 108.266 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.591 HG23 ' O ' ' A' ' 77' ' ' THR . 7.0 t -115.24 91.31 3.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 110.395 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 134.11 -58.91 0.68 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 p -137.68 156.31 48.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 0.777 . . . . 0.0 110.039 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.58 ' HB2' ' CH2' ' A' ' 17' ' ' TRP . 23.3 tp -116.16 142.54 46.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 57' ' ' ASP . 0.6 OUTLIER -135.62 107.31 6.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.408 ' CE ' HD21 ' A' ' 80' ' ' LEU . 46.5 mtm -146.08 148.28 32.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.42 1.075 . . . . 0.0 111.039 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.1 m -95.67 147.18 23.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.447 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.536 ' O ' HD12 ' A' ' 54' ' ' LEU . 53.3 mt -115.89 165.68 12.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 109.35 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -115.28 125.84 53.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.271 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -76.51 123.89 26.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 110.329 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -133.83 76.68 1.67 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.341 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.01 83.27 2.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 109.991 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -164.44 144.72 7.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.31 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -171.58 68.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.258 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -138.69 179.57 6.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 18.0 mmmt -108.17 167.89 9.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.58 1.175 . . . . 0.0 109.339 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.0 m -110.31 112.74 24.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.065 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -80.35 151.03 71.78 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 110.245 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 105.75 2.14 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.514 1.797 . . . . 0.0 110.977 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 68.1 t -78.91 117.92 25.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -109.1 127.33 54.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.02 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.7 t -48.36 106.87 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.99 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -123.66 -151.83 8.31 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.473 1.108 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 58.43 4.87 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.468 1.773 . . . . 0.0 111.016 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.94 112.47 25.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.967 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.67 110.52 21.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 110.009 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.507 1.129 . . . . 0.0 110.957 -179.977 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 t -120.96 121.75 38.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 0.741 . . . . 0.0 109.953 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.9 m -67.64 157.67 33.96 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 110.029 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.44 -124.31 1.91 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.549 1.155 . . . . 0.0 110.979 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.402 ' O ' ' NH1' ' A' ' 86' ' ' ARG . 2.1 m -118.97 -57.7 2.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 0.764 . . . . 0.0 110.02 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.19 -89.6 0.43 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.969 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.12 126.34 1.3 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.501 1.125 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.3 p -96.09 154.56 17.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 0.792 . . . . 0.0 109.981 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.47 ' CG2' ' N ' ' A' ' 10' ' ' SER . 0.7 OUTLIER -122.47 162.78 21.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.47 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 47.6 t -132.94 116.03 15.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.014 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.407 ' HB2' ' CE3' ' A' ' 17' ' ' TRP . 12.1 mt -104.34 149.59 25.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.142 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.5 p -117.17 107.13 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -175.35 155.85 21.02 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.539 1.149 . . . . 0.0 110.984 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.712 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.01 -6.28 17.86 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.512 1.796 . . . . 0.0 110.986 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.73 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . . . 162.07 -50.29 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.73 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.99 76.22 3.46 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.566 1.824 . . . . 0.0 111.05 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.618 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 2.3 m95 -69.87 -25.38 63.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 108.06 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.473 ' CA ' ' HB3' ' A' ' 37' ' ' LYS . . . 106.08 27.96 5.43 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.596 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 1.1 p90 -147.93 145.32 28.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 0.793 . . . . 0.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.9 mmt180 -108.64 173.23 6.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.318 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.496 HD23 HD13 ' A' ' 33' ' ' ILE . 94.4 mt -131.41 157.17 44.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -157.66 149.69 22.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.467 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 99.74 -159.68 19.64 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 125.06 -168.24 17.2 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.611 ' HB3' HG22 ' A' ' 65' ' ' THR . 0.2 OUTLIER -70.75 -54.41 11.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 0.755 . . . . 0.0 109.324 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -59.53 -17.58 33.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -96.51 -16.03 21.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 67.65 41.44 2.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.467 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 3.8 ptm -161.86 165.14 16.68 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 156.65 42.8 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.505 1.792 . . . . 0.0 110.992 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.7 mt -75.16 117.54 17.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -125.84 167.76 14.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.403 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.496 HD13 HD23 ' A' ' 21' ' ' LEU . 37.6 mm -78.68 103.77 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.415 ' HB3' ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -47.65 -59.45 3.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.963 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.97 176.45 12.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.085 . . . . 0.0 110.05 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.819 HD12 ' HB3' ' A' ' 43' ' ' SER . 0.2 OUTLIER -120.45 153.0 37.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.473 ' HB3' ' CA ' ' A' ' 18' ' ' GLY . 0.0 OUTLIER -100.52 138.72 37.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -48.64 123.73 7.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 41.7 55.63 3.87 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.464 1.102 . . . . 0.0 111.04 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -103.37 163.04 15.7 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.67 -52.59 13.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 0.789 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.508 ' HB2' ' HB3' ' A' ' 19' ' ' PHE . . . -46.77 -64.0 0.88 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.819 ' HB3' HD12 ' A' ' 36' ' ' LEU . 83.3 p -47.26 -48.3 24.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.983 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -56.98 -24.07 50.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 110.286 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 42' ' ' ALA . . . -91.5 18.9 6.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 53.03 38.96 28.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.6 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 23.0 t -90.47 115.6 30.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 5.2 mtm180 -99.35 155.05 17.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 28.4 mm -63.57 141.53 18.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.137 . . . . 0.0 109.323 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 101.79 -13.14 57.87 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.506 1.129 . . . . 0.0 111.045 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -55.96 126.85 27.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 0.786 . . . . 0.0 109.277 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 71.1 t -93.96 133.59 34.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.474 ' CG1' ' O ' ' A' ' 55' ' ' SER . 64.4 t -87.44 103.8 13.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 61.7 mt -70.84 -40.97 72.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.322 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.474 ' O ' ' CG1' ' A' ' 53' ' ' VAL . 12.7 p -135.85 170.31 16.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.987 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.468 ' CG1' HG11 ' A' ' 53' ' ' VAL . 63.5 mt -145.36 120.62 3.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 81' ' ' ASN . 43.1 t0 59.3 27.54 16.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 83.13 7.86 86.35 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.495 1.122 . . . . 0.0 110.961 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.2 mt -106.01 154.82 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 0.789 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.8 t -68.83 123.82 22.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 110.003 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -106.58 34.05 3.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -99.83 81.16 2.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.326 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 135.54 -47.3 0.99 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.518 1.136 . . . . 0.0 111.037 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 30.8 mtm -39.58 127.96 1.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 0.747 . . . . 0.0 111.003 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.611 HG22 ' HB3' ' A' ' 25' ' ' LYS . 69.3 p -71.88 171.17 12.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.414 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -52.2 -59.78 3.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.556 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.9 tp -49.72 -54.95 15.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.25 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -50.28 -59.06 4.33 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 0.0 110.255 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.421 ' O ' HD12 ' A' ' 73' ' ' ILE . . . -51.66 -51.28 57.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.26 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -53.48 -44.64 69.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -50.8 -53.29 33.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.5 mmmm -51.25 -62.1 1.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.429 ' HA ' HD11 ' A' ' 80' ' ' LEU . 4.2 mt -47.36 -39.95 6.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.08 -42.7 91.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.85 -31.18 62.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.262 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 79' ' ' SER . 1.6 m -75.19 103.52 5.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 108.323 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.3 p -106.33 -1.3 23.52 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 0.0 110.382 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -120.16 -72.1 0.34 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.518 1.137 . . . . 0.0 110.975 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.4 ' O ' ' SG ' ' A' ' 76' ' ' CYS . 1.9 p -126.8 162.36 26.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 0.761 . . . . 0.0 109.985 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.58 ' HB2' ' CH2' ' A' ' 17' ' ' TRP . 10.8 tp -122.08 119.04 30.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' A' ' 57' ' ' ASP . 1.2 m-80 -114.08 105.06 12.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.431 1.082 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 39.0 mtm -139.29 155.76 47.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 110.976 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.413 ' O ' HD23 ' A' ' 84' ' ' LEU . 16.6 m -102.7 150.67 23.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.427 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.413 HD23 ' O ' ' A' ' 83' ' ' THR . 58.4 mt -119.93 161.94 20.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -110.56 119.74 40.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 110.275 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.402 ' NH1' ' O ' ' A' ' 5' ' ' SER . 0.0 OUTLIER -77.55 150.64 34.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 110.304 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -106.57 84.93 2.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.105 . . . . 0.0 109.3 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.2 t -76.83 88.52 3.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.989 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -169.7 78.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.88 114.77 6.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -112.52 156.99 21.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.06 97.09 0.66 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 109.346 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 38.1 p -125.73 155.98 40.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.988 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -117.14 137.04 23.55 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.266 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 141.61 26.67 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.533 1.807 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 65.9 t -111.99 138.25 41.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 81.5 p -106.72 136.92 45.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.021 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -169.74 126.41 0.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 109.968 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -113.78 97.32 0.84 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.501 1.126 . . . . 0.0 110.97 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 91.24 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.507 1.793 . . . . 0.0 110.994 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -119.26 126.87 52.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.83 148.18 49.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.001 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.48 1.112 . . . . 0.0 111.038 179.99 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.9 p -161.01 112.59 1.84 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 0.75 . . . . 0.0 109.996 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.96 162.57 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.98 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.7 -142.14 6.19 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 p -122.66 115.5 22.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 0.0 110.038 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.4 p -177.25 171.28 2.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.982 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.49 145.85 4.42 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.4 p -101.48 152.92 20.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 0.78 . . . . 0.0 110.028 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.474 ' CG2' ' N ' ' A' ' 10' ' ' SER . 1.7 p -122.41 165.26 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.474 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 41.6 t -131.25 124.89 31.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.004 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 15.9 mt -111.95 148.82 32.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.1 p -116.5 106.43 20.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -177.38 154.19 15.09 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.525 1.14 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.709 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.0 -5.5 16.87 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.522 1.801 . . . . 0.0 110.951 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.709 ' HB2' ' O ' ' A' ' 14' ' ' PRO . . . 161.51 -50.05 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.418 1.074 . . . . 0.0 109.355 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.707 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -75.0 77.72 3.06 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.524 1.802 . . . . 0.0 111.01 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.614 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 2.5 m95 -71.72 -24.22 61.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 108.002 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 108.7 -6.86 33.5 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.497 1.123 . . . . 0.0 111.028 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.583 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 1.4 p90 -109.37 151.6 26.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 0.794 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.457 ' CB ' ' HB3' ' A' ' 34' ' ' SER . 0.0 OUTLIER -115.19 175.4 5.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.329 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.515 ' CD1' HD11 ' A' ' 73' ' ' ILE . 90.2 mt -137.38 147.33 45.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 22.0 pt20 -146.63 147.28 30.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.311 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.486 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 103.66 -164.95 15.38 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.519 1.137 . . . . 0.0 110.989 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 135.81 179.24 16.41 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.4 ttpt -66.67 -42.46 86.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 0.774 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -69.72 -17.46 63.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.496 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 11.3 m-85 -93.99 -25.76 17.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.496 ' CB ' ' O ' ' A' ' 27' ' ' PHE . 2.9 t-20 81.61 37.65 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.107 . . . . 0.0 109.277 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.486 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 5.4 ptm -159.82 164.02 21.24 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 156.99 42.78 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.492 1.785 . . . . 0.0 110.986 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 mt -75.65 108.04 8.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.271 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -114.29 167.55 10.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.376 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.527 HG21 ' CD2' ' A' ' 36' ' ' LEU . 49.2 mm -78.55 98.67 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.257 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.457 ' HB3' ' CB ' ' A' ' 20' ' ' ARG . 1.0 OUTLIER -44.36 -57.46 3.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.977 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.672 ' HA ' HD11 ' A' ' 49' ' ' ILE . 0.6 OUTLIER -158.46 179.33 9.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.992 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.744 HD11 ' HB3' ' A' ' 42' ' ' ALA . 0.4 OUTLIER -127.45 167.85 15.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 0.0 109.283 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -115.1 135.0 54.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.096 . . . . 0.0 109.329 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.7 p-10 -40.94 117.81 0.9 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 109.265 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 51.47 43.17 52.11 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.479 1.112 . . . . 0.0 110.951 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 37' ' ' LYS . . . -84.86 158.82 33.79 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.19 -67.38 0.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 0.746 . . . . 0.0 109.343 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.744 ' HB3' HD11 ' A' ' 36' ' ' LEU . . . -40.42 -56.95 1.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 14.3 t -52.32 -46.01 65.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.011 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -59.27 -22.5 61.25 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.406 ' CB ' HG21 ' A' ' 9' ' ' VAL . . . -93.21 13.63 20.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 4.8 m80 65.54 44.36 3.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.615 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 93.6 t -100.51 113.03 35.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.3 mtm180 -101.24 160.71 14.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.672 HD11 ' HA ' ' A' ' 35' ' ' SER . 5.9 mt -64.97 141.76 17.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 103.45 -17.45 50.67 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.474 1.109 . . . . 0.0 110.989 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.42 ' HB2' ' CG1' ' A' ' 33' ' ' ILE . 37.8 m-20 -53.85 127.39 25.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 0.786 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 76.9 t -91.04 130.0 40.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.349 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.452 HG11 ' CG1' ' A' ' 56' ' ' ILE . 48.3 t -85.25 101.44 9.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 34.8 mt -66.96 -40.81 87.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.3 p -139.41 165.99 25.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.993 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.471 HG22 ' O ' ' A' ' 56' ' ' ILE . 30.7 mt -138.77 93.53 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 81' ' ' ASN . 6.0 t0 74.66 46.5 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.262 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.7 9.31 61.98 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.445 1.091 . . . . 0.0 110.962 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.7 mm -107.48 142.77 19.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.556 0.798 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.97 123.47 22.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.088 . . . . 0.0 109.959 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -95.75 26.57 3.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -91.18 82.95 5.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.268 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 127.48 -47.8 1.0 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.534 1.146 . . . . 0.0 111.034 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 22.2 mtm -39.0 124.46 1.43 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 0.779 . . . . 0.0 111.016 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.4 p -70.65 164.97 23.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.388 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -48.31 -57.57 5.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.601 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.0 tp -48.86 -57.12 6.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -51.64 -59.78 3.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.432 ' HB1' ' CD1' ' A' ' 56' ' ' ILE . . . -48.76 -46.22 40.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.581 ' HA ' HD12 ' A' ' 73' ' ' ILE . 10.8 mm-40 -62.82 -34.54 77.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.6 -50.94 71.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.575 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 10.0 mmtt -51.02 -48.55 61.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.581 HD12 ' HA ' ' A' ' 70' ' ' GLN . 5.3 mt -47.51 -42.3 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -65.18 -33.55 76.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.575 ' HB3' ' O ' ' A' ' 72' ' ' LYS . . . -57.13 -23.39 46.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.418 ' HB3' HD13 ' A' ' 80' ' ' LEU . 14.0 p -41.84 145.48 0.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 108.273 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.639 HG23 ' O ' ' A' ' 77' ' ' THR . 13.6 t -131.89 50.56 2.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.132 . . . . 0.0 110.421 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 131.64 -56.95 0.73 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.525 1.141 . . . . 0.0 110.982 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.7 p -132.67 162.9 30.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 0.746 . . . . 0.0 110.011 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.592 ' HB2' ' CH2' ' A' ' 17' ' ' TRP . 11.2 tp -111.08 142.03 43.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.439 ' O ' ' N ' ' A' ' 57' ' ' ASP . 0.5 OUTLIER -131.03 104.67 7.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.4 ' HE1' ' CZ ' ' A' ' 19' ' ' PHE . 29.0 mtm -139.54 137.17 35.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.8 m -83.34 147.93 27.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.386 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 53.3 mt -118.02 162.23 18.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.423 ' HG2' ' N ' ' A' ' 86' ' ' ARG . 0.2 OUTLIER -117.41 143.89 45.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.423 ' N ' ' HG2' ' A' ' 85' ' ' GLN . 2.0 mpt_? -84.17 118.26 24.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 110.291 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -102.9 75.26 1.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 94.7 p -81.03 163.46 23.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.99 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -103.51 156.27 17.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -89.17 139.11 30.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 62.28 118.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.28 145.31 56.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 85.7 p -90.74 121.56 32.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.1 . . . . 0.0 110.076 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -97.65 150.5 36.85 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.333 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 126.14 9.77 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.49 1.784 . . . . 0.0 110.962 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 12.3 p -117.74 153.25 19.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.244 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 67.2 p -90.84 116.8 28.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.005 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.4 153.39 30.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 110.025 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 140.38 -154.68 24.23 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 90.2 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.514 1.797 . . . . 0.0 111.0 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 22.8 m -80.22 102.64 9.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.017 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 39.9 t -91.93 116.73 29.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.995 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.498 1.124 . . . . 0.0 111.0 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.2 m 69.36 -69.94 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 0.771 . . . . 0.0 109.994 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.4 p -103.06 119.44 38.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.001 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.432 ' CA ' ' HG3' ' A' ' 86' ' ' ARG . . . 141.97 100.98 0.41 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.473 1.108 . . . . 0.0 111.022 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.7 t -146.26 130.03 17.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 0.737 . . . . 0.0 110.056 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.5 p -50.71 173.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.972 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.66 139.17 2.84 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.8 p -100.16 148.33 24.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 0.786 . . . . 0.0 109.958 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.468 ' CG2' ' N ' ' A' ' 10' ' ' SER . 1.5 p -117.31 164.52 13.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.468 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 26.3 t -135.67 126.3 27.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.005 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.439 HD12 ' CE2' ' A' ' 19' ' ' PHE . 18.9 mt -112.27 151.35 29.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.108 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.621 HG13 ' HE2' ' A' ' 41' ' ' LYS . 7.4 p -117.04 106.44 20.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -177.04 156.59 20.72 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.493 1.121 . . . . 0.0 111.031 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.712 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.01 -6.01 17.51 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.546 1.814 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.712 ' HB2' ' O ' ' A' ' 14' ' ' PRO . . . 161.89 -50.22 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.705 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.01 78.11 2.98 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.482 1.78 . . . . 0.0 111.026 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.613 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 1.8 m95 -72.17 -23.5 61.29 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 113.63 -18.37 20.03 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.564 1.165 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.539 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 1.1 p90 -105.15 158.62 16.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 0.788 . . . . 0.0 110.999 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -126.44 171.12 11.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.683 HD11 HD11 ' A' ' 73' ' ' ILE . 59.6 mt -117.07 160.99 20.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -154.0 146.74 24.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 110.258 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.473 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 97.36 -160.01 21.24 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.497 1.123 . . . . 0.0 111.053 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 28' ' ' ASN . . . 130.25 172.66 13.19 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.7 ttpt -62.03 -47.11 86.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 0.77 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -64.51 -19.81 65.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.493 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 6.1 m-85 -93.98 -28.69 15.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.981 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' A' ' 27' ' ' PHE . 2.1 t-20 81.03 56.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.473 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 3.6 ptm -176.13 166.54 1.66 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 111.013 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 152.97 41.51 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.492 1.785 . . . . 0.0 110.99 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.405 ' O ' ' HA ' ' A' ' 52' ' ' VAL . 4.3 mt -74.65 115.42 14.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -124.46 173.19 8.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.377 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 25.3 mm -78.64 111.42 15.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.406 ' HB3' ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -58.75 -59.91 4.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.99 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.403 ' HA ' HD11 ' A' ' 49' ' ' ILE . 0.5 OUTLIER -155.58 -176.96 6.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.979 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.998 HD21 ' HB3' ' A' ' 42' ' ' ALA . 0.4 OUTLIER -150.49 159.56 44.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -95.54 145.46 25.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -47.52 112.18 0.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 50.64 44.54 47.43 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.51 1.131 . . . . 0.0 110.976 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.83 -149.72 0.59 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.621 ' HE2' HG13 ' A' ' 12' ' ' VAL . 1.1 mttp -86.98 -42.2 13.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 109.321 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.998 ' HB3' HD21 ' A' ' 36' ' ' LEU . . . -62.44 -41.54 98.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 32.0 t -57.97 -43.13 86.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.026 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -67.62 -23.38 65.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 110.294 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.438 ' HB1' ' CG2' ' A' ' 9' ' ' VAL . . . -89.26 13.72 12.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.439 ' O ' ' NH1' ' A' ' 48' ' ' ARG . 6.5 m80 59.2 45.89 13.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.634 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 96.2 t -107.15 122.52 61.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.439 ' NH1' ' O ' ' A' ' 46' ' ' HIS . 0.0 OUTLIER -109.65 162.63 14.24 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 110.304 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.403 HD11 ' HA ' ' A' ' 35' ' ' SER . 3.1 mt -70.48 134.23 30.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 111.79 -14.04 26.95 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.539 1.15 . . . . 0.0 111.019 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -60.09 129.44 41.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 0.76 . . . . 0.0 109.252 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.405 ' HA ' ' O ' ' A' ' 31' ' ' LEU . 79.8 t -94.01 128.4 45.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.444 HG11 ' CG1' ' A' ' 56' ' ' ILE . 40.8 t -82.7 104.33 11.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 60.0 mt -70.75 -36.22 73.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.4 p -144.06 163.44 33.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.009 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.584 ' CD1' ' HB1' ' A' ' 69' ' ' ALA . 48.0 mt -136.58 90.49 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.576 1.173 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 18.7 t0 71.64 49.76 0.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.28 10.17 62.15 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.571 1.169 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.594 HG21 ' HE2' ' A' ' 72' ' ' LYS . 9.3 mm -105.54 133.66 49.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 0.77 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.39 121.49 16.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.992 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -91.75 21.89 4.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.335 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -89.35 101.24 13.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 106.89 -41.55 2.16 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 21.2 mtm -45.79 132.38 8.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 0.742 . . . . 0.0 110.982 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.9 p -74.73 171.44 13.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.123 . . . . 0.0 110.413 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -54.59 -56.93 13.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.582 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 1.016 HD13 ' N ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -48.42 -50.79 29.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 1.016 ' N ' HD13 ' A' ' 67' ' ' LEU . 1.0 OUTLIER -49.55 -65.12 0.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.311 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.584 ' HB1' ' CD1' ' A' ' 56' ' ' ILE . . . -48.11 -38.28 17.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -68.93 -37.04 78.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.323 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.506 ' OD1' HD21 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -58.72 -48.24 81.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.594 ' HE2' HG21 ' A' ' 59' ' ' ILE . 33.6 mmtm -58.08 -49.64 76.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.694 HG12 HD21 ' A' ' 80' ' ' LEU . 5.8 mt -49.85 -42.44 18.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -63.97 -37.08 86.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 72' ' ' LYS . . . -56.63 -47.57 79.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.499 ' SG ' ' CD1' ' A' ' 80' ' ' LEU . 66.4 m -58.8 112.81 1.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 108.306 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 9.0 t -107.32 -14.72 14.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.418 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -105.87 -70.84 0.78 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.467 1.104 . . . . 0.0 111.006 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.1 p -137.62 162.42 33.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 0.783 . . . . 0.0 109.99 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.694 HD21 HG12 ' A' ' 73' ' ' ILE . 12.7 tp -111.82 115.16 28.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -110.12 104.95 13.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.568 ' HE2' HD23 ' A' ' 80' ' ' LEU . 28.9 mtm -134.16 151.27 51.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 111.041 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.4 m -97.73 145.51 26.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 110.444 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 32.4 mt -113.85 162.72 15.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -112.3 129.1 56.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.432 ' HG3' ' CA ' ' A' ' 4' ' ' GLY . 0.0 OUTLIER -81.51 152.77 27.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -96.23 89.22 5.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.128 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.2 t -152.59 84.27 1.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.983 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -172.33 104.78 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 56.7 173.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 62.75 117.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.65 162.6 20.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.3 t -103.99 112.34 25.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.96 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -72.99 116.09 46.94 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.272 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -178.85 4.47 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.476 1.777 . . . . 0.0 111.027 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 33.0 m -109.91 132.68 57.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.272 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -121.58 141.26 51.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.967 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 88.3 p -119.31 158.9 25.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.999 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -115.47 121.83 5.4 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 110.24 3.08 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.493 1.786 . . . . 0.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.02 135.07 53.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.981 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 55.5 p -107.44 128.03 54.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.0 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 O-C-N 124.496 1.123 . . . . 0.0 111.0 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.0 m -92.57 162.34 14.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 0.77 . . . . 0.0 110.029 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m -97.56 -62.27 1.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.019 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.95 -111.71 1.57 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.549 1.156 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.26 -51.85 1.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.768 . . . . 0.0 110.014 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 m 60.7 164.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.029 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.56 142.64 3.47 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 40.9 t -96.3 161.59 13.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 0.759 . . . . 0.0 110.001 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.481 HG23 ' HB1' ' A' ' 45' ' ' ALA . 1.2 p -130.96 163.79 35.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.472 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 26.8 t -137.24 123.89 21.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.019 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.438 HD12 ' HE2' ' A' ' 19' ' ' PHE . 31.7 mt -115.31 151.64 34.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.237 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 74.7 t -117.76 106.67 20.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -176.51 155.01 17.85 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.477 1.111 . . . . 0.0 111.027 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.713 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.98 -6.34 17.94 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.516 1.798 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.713 ' HB2' ' O ' ' A' ' 14' ' ' PRO . . . 161.72 -50.09 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.713 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.01 76.9 3.27 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.5 1.789 . . . . 0.0 110.981 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.627 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 2.1 m95 -71.35 -23.96 62.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 108.002 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 108.91 6.11 30.45 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.469 1.106 . . . . 0.0 111.04 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.569 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 1.7 p90 -125.33 160.72 28.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 0.77 . . . . 0.0 111.032 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.0 175.51 6.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 110.333 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.47 ' CD2' HD13 ' A' ' 33' ' ' ILE . 73.6 mt -137.06 151.3 48.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -151.89 149.59 29.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.291 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.474 ' CA ' ' HG2' ' A' ' 29' ' ' MET . . . 106.63 -153.1 16.97 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 116.44 175.51 17.78 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -64.63 -22.86 67.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 0.77 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -78.8 -34.02 45.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -93.67 16.24 14.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.959 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 49.68 47.2 23.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.271 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.474 ' HG2' ' CA ' ' A' ' 23' ' ' GLY . 1.9 ptm -168.98 171.92 3.17 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 111.0 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.406 ' O ' ' HG3' ' A' ' 29' ' ' MET . 18.4 Cg_endo -74.98 -161.56 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.525 1.803 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.0 mt -116.25 105.74 12.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.501 HG23 HG22 ' A' ' 52' ' ' VAL . 0.6 OUTLIER -112.98 168.1 9.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 110.404 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.47 HD13 ' CD2' ' A' ' 21' ' ' LEU . 21.4 mm -78.44 105.65 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.74 -58.16 9.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.99 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -153.24 -179.21 7.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 109.981 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 1.048 HD21 ' HB3' ' A' ' 42' ' ' ALA . 0.2 OUTLIER -149.24 163.57 37.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.4 tttp -96.27 147.46 23.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -54.08 113.2 1.15 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 62.63 33.71 87.45 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.499 1.125 . . . . 0.0 110.977 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.8 178.88 24.0 Favored Glycine 0 CA--C 1.529 0.95 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.59 -55.91 22.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 0.748 . . . . 0.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 1.048 ' HB3' HD21 ' A' ' 36' ' ' LEU . . . -45.94 -46.12 15.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.3 t -57.61 -43.05 84.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 110.016 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -65.44 -24.36 67.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.289 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.481 ' HB1' HG23 ' A' ' 9' ' ' VAL . . . -89.4 11.04 20.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 32.7 m-70 64.6 37.72 7.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.575 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 88.9 t -96.61 116.72 39.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 0.0 109.245 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 -103.78 157.9 16.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.285 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.2 mt -67.06 134.77 29.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.286 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 107.49 -4.86 35.05 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -69.17 125.71 27.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 0.768 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.501 HG22 HG23 ' A' ' 32' ' ' THR . 82.5 t -89.85 132.34 34.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.1 t -83.83 102.75 10.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.347 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 50.1 mt -67.45 -44.08 79.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.1 p -138.99 170.26 16.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.973 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 91.6 mt -141.97 91.86 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 81' ' ' ASN . 13.0 t0 68.64 50.74 0.65 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 73.07 3.25 60.15 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.0 mm -97.27 145.98 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 0.756 . . . . 0.0 109.283 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.83 117.47 23.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.042 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -92.95 28.91 1.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -80.41 -57.23 3.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.274 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -105.25 50.17 0.85 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.515 1.135 . . . . 0.0 111.0 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 30.3 mtm -131.07 132.42 44.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 110.997 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 81.5 p -75.68 171.49 14.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.571 1.169 . . . . 0.0 110.422 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.435 ' NE2' ' O ' ' A' ' 21' ' ' LEU . 3.1 t-160 -53.1 -50.62 64.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 109.574 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 1.015 HD13 ' N ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -56.49 -49.54 74.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 1.015 ' N ' HD13 ' A' ' 67' ' ' LEU . 2.3 mt-10 -48.07 -60.32 2.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.296 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.77 -48.7 69.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -56.69 -43.61 80.66 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 110.312 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.543 ' OD1' HD21 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -52.8 -47.94 67.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.258 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.501 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 30.9 mmtm -58.51 -55.93 28.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.605 HG12 HD21 ' A' ' 80' ' ' LEU . 7.7 mt -49.26 -40.52 13.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.7 mttp -62.88 -31.18 72.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 72' ' ' LYS . . . -66.6 -40.44 88.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.49 ' SG ' HD12 ' A' ' 80' ' ' LEU . 77.6 m -68.72 112.56 5.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 108.3 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.9 t -109.9 -18.28 13.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.399 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -101.29 -71.82 0.94 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.408 ' HA ' ' O ' ' A' ' 11' ' ' LEU . 2.5 p -131.82 163.29 28.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 0.755 . . . . 0.0 109.979 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.605 HD21 HG12 ' A' ' 73' ' ' ILE . 12.8 tp -117.49 119.48 35.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.427 ' O ' ' N ' ' A' ' 57' ' ' ASP . 1.0 OUTLIER -114.26 104.82 12.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.107 . . . . 0.0 109.27 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 33.5 mtm -139.0 159.28 42.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 111.019 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.5 m -107.25 147.9 29.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.164 . . . . 0.0 110.349 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 41.6 mt -115.16 163.59 15.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.268 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -111.66 123.75 50.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.128 . . . . 0.0 110.259 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.418 ' HD2' ' N ' ' A' ' 86' ' ' ARG . 1.6 mpt_? -80.06 119.25 22.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.311 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -98.17 75.75 2.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 93.2 p -93.71 168.81 10.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.043 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . 64.65 176.87 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.267 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 57.83 65.08 1.39 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -129.18 107.95 9.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 109.267 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.09 110.96 5.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 46.4 m -109.0 157.87 18.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.003 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -105.87 120.95 47.41 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 110.31 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 175.95 10.54 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.526 1.803 . . . . 0.0 111.028 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 66.2 t -111.71 144.42 19.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 48.9 p -126.31 120.24 29.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.019 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.1 m -152.16 144.95 24.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 110.045 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 135.77 172.38 12.64 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.574 1.172 . . . . 0.0 111.035 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 147.71 34.4 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.442 1.759 . . . . 0.0 110.987 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.44 101.37 10.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.984 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -101.18 133.17 46.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 110.005 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.561 1.163 . . . . 0.0 110.99 179.992 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.4 t -94.94 88.39 5.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 0.766 . . . . 0.0 109.998 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.3 t 73.87 -59.41 0.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.003 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 54.66 -126.95 39.13 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.494 1.121 . . . . 0.0 111.007 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.431 ' O ' ' NH1' ' A' ' 86' ' ' ARG . 0.2 OUTLIER -155.6 152.37 28.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 0.768 . . . . 0.0 110.012 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 m -52.86 173.3 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 109.975 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.55 133.91 2.64 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.508 1.13 . . . . 0.0 110.973 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 39.6 t -96.18 161.9 13.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 0.748 . . . . 0.0 110.044 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.486 HG22 ' N ' ' A' ' 10' ' ' SER . 1.7 p -139.57 165.24 22.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.54 ' O ' HD23 ' A' ' 11' ' ' LEU . 32.6 t -132.38 136.95 47.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.994 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.54 HD23 ' O ' ' A' ' 10' ' ' SER . 26.4 mt -125.18 148.16 48.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.437 ' O ' HG13 ' A' ' 12' ' ' VAL . 7.6 p -114.78 107.19 22.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -172.11 154.25 21.17 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.711 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.97 -6.51 18.17 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.566 1.824 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.717 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . . . 161.26 -49.57 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.717 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.1 Cg_endo -75.07 79.86 2.58 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.479 1.779 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.639 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 2.3 m95 -75.04 -23.05 58.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 107.996 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.477 ' CA ' ' HB3' ' A' ' 37' ' ' LYS . . . 104.67 27.83 5.9 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.507 1.129 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.567 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 1.6 p90 -150.78 151.94 33.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 0.77 . . . . 0.0 110.985 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.2 mmt-85 -119.24 166.26 13.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.561 HD23 HD13 ' A' ' 33' ' ' ILE . 96.2 mt -126.37 155.36 42.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -155.21 149.72 26.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 110.276 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.468 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 102.4 -161.56 17.06 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.488 1.118 . . . . 0.0 111.03 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 126.46 -173.51 18.07 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.408 ' CA ' ' HE2' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -66.93 -50.02 63.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 0.758 . . . . 0.0 109.297 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -61.05 -20.06 62.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -96.39 -16.54 21.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.5 t30 69.5 38.31 1.79 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.468 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 3.3 ptm -157.21 165.09 19.55 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 110.996 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 155.79 42.82 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.526 1.803 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.403 ' O ' ' HA ' ' A' ' 52' ' ' VAL . 7.6 mt -75.18 112.88 11.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -121.59 168.03 12.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.406 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.561 HD13 HD23 ' A' ' 21' ' ' LEU . 29.0 mm -78.54 105.2 7.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.93 -62.28 1.61 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.011 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.455 ' HA ' HD11 ' A' ' 49' ' ' ILE . 0.5 OUTLIER -149.83 174.7 12.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.033 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.781 HD12 ' HB2' ' A' ' 43' ' ' SER . 0.2 OUTLIER -120.03 154.95 33.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.258 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.477 ' HB3' ' CA ' ' A' ' 18' ' ' GLY . 0.0 OUTLIER -100.13 135.14 42.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.29 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -49.52 123.26 7.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.335 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 44.01 50.78 7.44 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.47 1.106 . . . . 0.0 110.992 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -98.66 179.65 31.76 Favored Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.421 ' CE ' HG12 ' A' ' 12' ' ' VAL . 0.1 OUTLIER -62.88 -57.02 12.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 0.784 . . . . 0.0 109.305 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.48 ' HB2' ' HB3' ' A' ' 19' ' ' PHE . . . -41.66 -61.77 1.02 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.781 ' HB2' HD12 ' A' ' 36' ' ' LEU . 38.8 t -47.42 -48.4 26.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.432 1.082 . . . . 0.0 109.956 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -57.2 -27.36 61.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 42' ' ' ALA . . . -87.5 11.64 14.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 34.1 m-70 61.25 36.92 17.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.635 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.614 HG13 ' OD2' ' A' ' 51' ' ' ASP . 86.3 t -94.35 110.06 23.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.9 mtm180 -102.11 162.27 13.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.455 HD11 ' HA ' ' A' ' 35' ' ' SER . 3.0 mt -61.71 132.13 27.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 114.06 -18.24 19.01 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.478 1.111 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.614 ' OD2' HG13 ' A' ' 47' ' ' VAL . 15.1 m-20 -53.66 124.05 14.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 0.779 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 31' ' ' LEU . 85.5 t -94.36 128.61 45.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.543 HG11 ' CG1' ' A' ' 56' ' ' ILE . 22.1 t -80.55 111.53 17.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.471 HD12 ' O ' ' A' ' 84' ' ' LEU . 45.0 mt -76.81 -38.11 54.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.371 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.9 m -152.77 158.14 41.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 109.998 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.543 ' CG1' HG11 ' A' ' 53' ' ' VAL . 18.1 mt -132.69 130.29 59.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 81' ' ' ASN . 39.0 t0 54.58 29.12 10.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 85.54 1.17 87.85 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.471 1.107 . . . . 0.0 111.025 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.471 HG13 ' CE ' ' A' ' 72' ' ' LYS . 5.9 mm -94.84 126.4 47.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.447 0.734 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.22 123.15 19.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.983 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -89.51 43.17 1.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -90.95 62.21 4.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.281 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 120.14 43.15 0.49 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.517 1.136 . . . . 0.0 110.953 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 5.4 mtm -115.54 137.52 51.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 0.747 . . . . 0.0 111.001 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.4 p -80.68 164.27 22.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 110.43 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -52.2 -56.8 12.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.634 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.0 tp -46.61 -50.87 16.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 109.355 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -51.02 -69.14 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.332 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.536 ' HB1' HD12 ' A' ' 56' ' ' ILE . . . -47.73 -44.55 27.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -58.81 -40.56 84.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.99 -50.65 72.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.494 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 36.0 mmtt -52.95 -58.54 6.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.421 1.076 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.689 HG12 HD21 ' A' ' 80' ' ' LEU . 6.4 mt -44.57 -47.41 2.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.0 mttp -60.54 -38.97 86.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.494 ' HB3' ' O ' ' A' ' 72' ' ' LYS . . . -58.5 -47.99 82.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.265 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.567 ' SG ' HD12 ' A' ' 80' ' ' LEU . 59.3 m -58.26 105.23 0.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 108.292 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 11.0 t -99.15 -11.74 21.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.143 . . . . 0.0 110.392 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -109.09 -79.31 1.11 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.515 1.134 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.418 ' HA ' ' O ' ' A' ' 11' ' ' LEU . 1.2 p -126.32 162.24 25.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 0.774 . . . . 0.0 110.018 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.689 HD21 HG12 ' A' ' 73' ' ' ILE . 9.3 tp -110.64 121.76 46.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.451 ' O ' ' N ' ' A' ' 57' ' ' ASP . 0.9 OUTLIER -116.43 105.22 12.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.468 ' HE1' ' CZ ' ' A' ' 19' ' ' PHE . 27.9 mtm -136.77 156.04 49.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.138 . . . . 0.0 111.012 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.8 m -104.18 146.1 29.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.411 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.471 ' O ' HD12 ' A' ' 54' ' ' LEU . 47.7 mt -115.78 162.1 17.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -110.31 119.28 38.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.309 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.431 ' NH1' ' O ' ' A' ' 5' ' ' SER . 1.8 mpt_? -78.44 119.76 22.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.088 . . . . 0.0 110.288 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -149.08 79.06 1.4 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.16 170.4 10.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.0 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.53 141.81 15.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -108.33 102.32 11.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.255 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -122.26 162.56 21.23 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.403 ' HD3' ' N ' ' A' ' 92' ' ' LYS . 1.3 mppt? -117.09 168.88 9.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.34 103.09 7.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.969 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.98 111.19 53.73 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.341 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 174.28 13.05 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.468 1.773 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 86.4 t -96.09 137.66 23.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 33.7 t -100.31 117.64 34.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.992 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.4 m -171.2 156.91 4.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.922 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -80.2 -170.29 41.15 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.502 1.127 . . . . 0.0 111.009 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 59.46 5.21 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.529 1.805 . . . . 0.0 110.993 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.93 130.84 56.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.992 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.21 90.56 8.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.989 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.121 . . . . 0.0 110.987 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.9 p -85.68 135.91 33.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 0.801 . . . . 0.0 110.016 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.5 t -57.06 158.59 4.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.054 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.54 -161.12 10.91 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.0 m 55.58 66.79 1.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 0.777 . . . . 0.0 109.983 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.0 p -164.83 176.36 8.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 110.01 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.73 136.28 2.18 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.501 1.125 . . . . 0.0 111.01 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 40.8 t -94.44 163.24 13.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 0.767 . . . . 0.0 109.991 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.465 ' CG2' ' N ' ' A' ' 10' ' ' SER . 0.9 OUTLIER -137.94 163.4 29.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.465 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 47.2 t -136.2 130.29 32.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.025 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 54.9 mt -119.69 148.01 43.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 76.1 t -115.69 106.66 20.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -174.63 156.36 22.81 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.512 1.132 . . . . 0.0 111.05 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.697 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.01 -5.8 17.25 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.518 1.799 . . . . 0.0 110.962 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.73 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . . . 161.8 -50.15 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.73 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.95 78.81 2.79 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.451 1.763 . . . . 0.0 111.028 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.633 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 1.9 m95 -73.3 -23.72 60.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 107.983 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.459 ' CA ' ' HB3' ' A' ' 37' ' ' LYS . . . 107.45 26.19 5.74 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.472 1.107 . . . . 0.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.603 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 0.9 OUTLIER -147.86 149.55 32.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 0.751 . . . . 0.0 110.962 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.415 ' CB ' ' OG ' ' A' ' 34' ' ' SER . 2.8 mmt180 -113.23 174.63 5.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.578 HD11 HD13 ' A' ' 73' ' ' ILE . 54.6 mt -131.1 159.77 36.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -160.41 145.72 14.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.479 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 102.34 -160.52 17.44 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.488 1.118 . . . . 0.0 110.984 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 127.63 175.21 14.01 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.18 -36.53 84.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 0.749 . . . . 0.0 109.302 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.54 -20.93 61.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.433 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 27.0 m-85 -95.87 -17.47 21.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.087 . . . . 0.0 111.0 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.433 ' CB ' ' O ' ' A' ' 27' ' ' PHE . 20.2 t-20 78.29 36.64 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.479 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 4.3 ptm -159.73 164.56 19.97 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.959 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 157.59 42.54 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.466 1.771 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.402 ' O ' ' HA ' ' A' ' 52' ' ' VAL . 1.6 mt -75.42 118.44 18.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -127.2 168.73 14.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.093 . . . . 0.0 110.389 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.431 HG21 ' CD2' ' A' ' 36' ' ' LEU . 37.8 mm -78.66 104.23 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.42 ' HB3' ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -48.78 -60.24 2.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.967 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.75 176.36 12.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.113 . . . . 0.0 109.953 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.861 HD12 ' HB3' ' A' ' 43' ' ' SER . 0.4 OUTLIER -117.23 154.22 31.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.459 ' HB3' ' CA ' ' A' ' 18' ' ' GLY . 0.0 OUTLIER -97.23 136.02 38.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.69 112.56 0.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 58.49 46.3 93.32 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.453 1.096 . . . . 0.0 111.035 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -90.92 178.44 42.22 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -71.48 -54.78 9.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.766 . . . . 0.0 109.305 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.474 ' CB ' ' HB3' ' A' ' 19' ' ' PHE . . . -40.23 -60.73 1.01 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.861 ' HB3' HD12 ' A' ' 36' ' ' LEU . 5.9 p -47.46 -48.37 26.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.999 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -63.54 -22.64 67.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 42' ' ' ALA . . . -90.74 16.72 8.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.415 ' HA ' ' NH2' ' A' ' 48' ' ' ARG . 13.5 m-70 59.13 50.25 8.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.102 . . . . 0.0 109.579 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 44.5 t -108.77 99.24 8.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.42 ' NH2' ' O ' ' A' ' 43' ' ' SER . 8.8 mmp_? -87.94 166.42 14.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.0 mt -72.33 133.36 31.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 107.27 -9.67 39.08 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.506 1.129 . . . . 0.0 111.032 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.406 ' OD2' HD13 ' A' ' 84' ' ' LEU . 10.7 m-20 -58.51 125.05 21.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 0.751 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.402 ' HA ' ' O ' ' A' ' 31' ' ' LEU . 72.3 t -93.11 129.86 43.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.506 ' CG1' ' O ' ' A' ' 55' ' ' SER . 99.8 t -84.1 104.57 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 32.6 mt -69.29 -45.46 69.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.506 ' O ' ' CG1' ' A' ' 53' ' ' VAL . 87.8 p -130.92 172.76 11.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.006 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.547 HG22 ' O ' ' A' ' 56' ' ' ILE . 17.5 mt -146.12 92.68 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 81' ' ' ASN . 7.3 t0 71.57 43.86 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.112 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 75.63 5.3 78.2 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.459 1.1 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.42 ' O ' ' N ' ' A' ' 56' ' ' ILE . 2.9 mm -103.4 137.58 31.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 0.768 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.4 t -67.74 120.92 14.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.976 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -102.35 40.21 1.39 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -88.87 -48.22 7.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -113.5 52.64 0.63 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.543 1.152 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 8.1 mtm -129.27 135.5 48.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 0.739 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 19.4 p -79.96 165.45 22.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.391 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -47.43 -48.89 26.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.578 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.994 HD13 ' N ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -57.09 -54.35 47.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.994 ' N ' HD13 ' A' ' 67' ' ' LEU . 9.7 mm-40 -45.54 -57.03 4.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.518 ' HB1' ' CD1' ' A' ' 56' ' ' ILE . . . -56.62 -51.89 66.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -53.16 -47.3 68.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.608 ' OD1' HD21 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -52.1 -48.66 64.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.421 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 18.1 mmtt -59.51 -57.74 11.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.578 HD13 HD11 ' A' ' 21' ' ' LEU . 5.3 mt -50.96 -40.22 20.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.343 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.0 tttt -65.47 -32.47 74.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 72' ' ' LYS . . . -67.84 -28.03 67.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 34.7 m -77.09 98.0 4.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 108.33 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 12.0 t -98.86 -5.77 30.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.408 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -111.2 -77.59 0.9 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.495 1.122 . . . . 0.0 111.046 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.42 159.36 36.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.77 . . . . 0.0 110.006 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.577 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 12.7 tp -114.42 118.38 33.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.415 ' O ' ' N ' ' A' ' 57' ' ' ASP . 1.2 m-80 -116.61 105.04 12.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.09 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 25.3 mtm -140.56 152.85 45.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 111.001 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.438 ' O ' HD23 ' A' ' 84' ' ' LEU . 5.9 m -98.45 147.44 24.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.393 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.438 HD23 ' O ' ' A' ' 83' ' ' THR . 17.6 mt -114.77 166.18 12.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.426 ' HG2' ' N ' ' A' ' 86' ' ' ARG . 0.0 OUTLIER -117.28 137.74 52.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.298 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.426 ' N ' ' HG2' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -77.16 151.07 35.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.31 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -126.21 89.64 3.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.6 t -97.03 90.21 5.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.971 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -170.86 100.11 0.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 0.0 109.329 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -158.37 156.34 30.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -134.38 153.4 51.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.11 173.51 6.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.07 144.15 51.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.993 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -99.61 154.05 37.47 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 176.6 9.7 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.519 1.8 . . . . 0.0 111.035 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 27.7 m -123.12 160.47 25.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.446 1.091 . . . . 0.0 109.336 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.3 m -117.83 150.25 39.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 110.018 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.55 136.46 23.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.994 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 107.82 100.29 2.65 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.539 1.15 . . . . 0.0 111.003 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 123.27 7.74 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.514 1.797 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.7 m -98.47 140.37 32.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 110.012 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.27 148.69 50.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.033 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.522 1.139 . . . . 0.0 111.016 179.976 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.2 m 59.82 106.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 0.741 . . . . 0.0 109.995 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.9 m -54.89 -59.17 5.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.994 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.91 -78.18 0.39 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.482 1.114 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.3 p -116.22 118.21 32.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 0.755 . . . . 0.0 109.98 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.5 p 53.69 174.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 109.942 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.93 149.63 5.79 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.476 1.11 . . . . 0.0 110.976 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.7 p -93.5 151.66 19.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 0.791 . . . . 0.0 109.983 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.458 ' CG2' ' N ' ' A' ' 10' ' ' SER . 1.3 p -122.03 163.34 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.458 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 47.3 t -133.37 115.65 15.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.017 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.462 HD13 ' HB3' ' A' ' 17' ' ' TRP . 34.5 mt -102.99 149.97 24.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 77.9 t -117.94 106.35 19.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -177.26 156.88 21.21 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.714 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.04 -4.88 16.05 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.493 1.786 . . . . 0.0 111.031 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.724 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . . . 161.67 -50.14 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.724 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -75.02 77.61 3.1 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.509 1.794 . . . . 0.0 111.02 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.588 ' CZ2' ' HB2' ' A' ' 80' ' ' LEU . 2.8 m95 -70.19 -25.96 63.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 107.952 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.474 ' CA ' ' HB3' ' A' ' 37' ' ' LYS . . . 106.28 29.11 4.94 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.483 1.115 . . . . 0.0 110.976 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.601 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 0.8 OUTLIER -148.95 149.56 31.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 0.796 . . . . 0.0 111.018 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.4 mmm180 -114.44 175.71 5.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 110.343 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.452 ' C ' ' NE2' ' A' ' 66' ' ' HIS . 69.6 mt -135.1 152.25 51.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -153.03 143.32 22.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.565 1.166 . . . . 0.0 110.286 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.477 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 107.98 -157.72 15.23 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.493 1.121 . . . . 0.0 111.029 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 122.97 -169.96 15.35 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.39 -55.88 8.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 0.765 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -56.46 -19.33 14.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -95.85 -20.37 18.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 111.014 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 72.78 43.5 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.477 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 4.7 ptm -164.57 164.99 13.13 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 155.89 43.01 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.529 1.805 . . . . 0.0 111.009 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.7 mt -75.35 111.96 11.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.255 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -117.94 167.78 11.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.427 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.439 HG21 HD23 ' A' ' 36' ' ' LEU . 30.0 mm -78.46 100.35 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.405 ' HB3' ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -45.9 -59.61 2.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 109.994 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.503 ' HA ' HD11 ' A' ' 49' ' ' ILE . 0.5 OUTLIER -153.8 175.37 13.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.997 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.788 HD12 ' HB3' ' A' ' 43' ' ' SER . 0.2 OUTLIER -119.57 163.54 17.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.272 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.474 ' HB3' ' CA ' ' A' ' 18' ' ' GLY . 13.0 tttp -109.67 128.28 55.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -43.34 121.52 2.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 45.8 53.77 8.43 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -103.08 165.44 16.03 Favored Glycine 0 CA--C 1.531 1.057 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.09 -48.51 64.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 0.785 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.476 ' CB ' ' HB3' ' A' ' 19' ' ' PHE . . . -48.98 -63.91 0.96 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.788 ' HB3' HD12 ' A' ' 36' ' ' LEU . 83.8 p -47.25 -48.26 24.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.0 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -54.91 -26.2 34.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.36 12.56 13.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 10.5 m170 59.87 42.95 15.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.623 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.464 HG13 ' OD2' ' A' ' 51' ' ' ASP . 98.1 t -98.5 112.36 30.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.408 1.067 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.5 mtm180 -101.47 161.5 13.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 110.284 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.503 HD11 ' HA ' ' A' ' 35' ' ' SER . 3.1 mt -64.92 133.72 30.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 112.84 -18.42 22.03 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.566 1.166 . . . . 0.0 111.03 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.464 ' OD2' HG13 ' A' ' 47' ' ' VAL . 13.3 m-20 -53.84 126.04 20.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.757 . . . . 0.0 109.236 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 82.7 t -94.66 132.61 38.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.33 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.418 HG11 ' CG1' ' A' ' 56' ' ' ILE . 43.4 t -89.11 104.85 15.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 42.5 mt -73.28 -42.62 62.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.3 p -131.89 164.47 26.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 110.007 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.582 ' CD1' ' HB1' ' A' ' 69' ' ' ALA . 55.5 mt -142.26 98.32 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 81' ' ' ASN . 16.2 t0 71.23 50.65 0.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.113 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 65.44 13.18 57.96 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.536 1.147 . . . . 0.0 111.008 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.418 HG13 ' CE ' ' A' ' 72' ' ' LYS . 3.1 mm -109.36 143.41 19.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.498 0.763 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.4 t -75.07 123.88 25.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 110.008 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -98.75 28.24 4.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -92.97 53.51 2.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 0.0 110.321 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 142.66 45.22 0.05 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 9.1 mtm -129.45 135.48 48.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 0.754 . . . . 0.0 110.989 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.9 p -72.23 161.9 30.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.42 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.452 ' NE2' ' C ' ' A' ' 21' ' ' LEU . 3.1 t-160 -51.92 -50.46 61.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.596 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 1.006 HD13 ' N ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -53.98 -54.49 38.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 1.006 ' N ' HD13 ' A' ' 67' ' ' LEU . 54.6 mm-40 -46.66 -60.14 2.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 110.277 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.582 ' HB1' ' CD1' ' A' ' 56' ' ' ILE . . . -51.71 -43.57 62.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.442 ' HA ' HD12 ' A' ' 73' ' ' ILE . 5.9 mm-40 -64.02 -37.19 86.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.566 1.166 . . . . 0.0 110.263 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.536 ' OD1' HD21 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -62.02 -46.46 89.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.518 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 20.7 mmtm -57.72 -52.47 65.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.518 ' HA ' HD11 ' A' ' 80' ' ' LEU . 6.1 mt -45.54 -41.98 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.108 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.66 -40.35 87.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 72' ' ' LYS . . . -48.7 -25.9 2.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.401 ' C ' ' O ' ' A' ' 75' ' ' ALA . 17.8 p -41.76 123.94 2.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 108.301 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 8.9 t -107.34 0.72 23.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.39 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -179.41 -56.31 0.08 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.496 1.123 . . . . 0.0 110.974 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.4 p -126.83 160.95 29.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 0.75 . . . . 0.0 110.02 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.588 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 11.1 tp -111.0 142.46 43.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.426 ' O ' ' N ' ' A' ' 57' ' ' ASP . 0.6 OUTLIER -131.43 105.11 7.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.454 ' HE1' ' CZ ' ' A' ' 19' ' ' PHE . 39.6 mtm -139.88 144.65 37.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.2 m -91.23 148.37 22.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.393 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 50.6 mt -117.0 166.44 12.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -121.58 125.35 46.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 110.328 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.01 150.07 32.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.266 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -117.33 97.36 5.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.4 m -57.34 147.87 24.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.996 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . 54.93 88.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -143.04 91.06 2.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -80.79 114.22 19.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.81 140.94 44.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.76 123.43 27.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.974 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.408 ' HA ' ' HD3' ' A' ' 95' ' ' PRO . 3.4 pt-20 -107.27 133.97 20.12 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.253 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 94' ' ' GLU . 18.4 Cg_endo -74.99 166.17 29.77 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.485 1.781 . . . . 0.0 111.025 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 55.3 t -82.14 111.86 19.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.62 156.97 26.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.453 1.096 . . . . 0.0 109.981 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.6 t -154.78 111.43 3.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.974 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 157.19 -144.98 11.25 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.492 1.12 . . . . 0.0 110.969 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 69.43 5.55 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.521 1.8 . . . . 0.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 49.5 m -120.09 102.9 8.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 110.023 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.06 127.19 52.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.017 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.488 1.118 . . . . 0.0 111.012 179.986 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 4' ' ' GLY . 0.6 OUTLIER 65.4 153.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.433 0.725 . . . . 0.0 110.01 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.2 m 64.83 -76.45 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.01 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 2' ' ' SER . . . -120.18 165.96 13.64 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.515 1.134 . . . . 0.0 111.032 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.41 86.57 2.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 0.764 . . . . 0.0 110.009 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.1 p -103.65 -174.85 2.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.041 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.56 136.53 2.95 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.466 1.104 . . . . 0.0 110.978 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.9 p -92.37 151.93 20.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 0.781 . . . . 0.0 110.003 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.473 ' CG2' ' N ' ' A' ' 10' ' ' SER . 1.4 p -129.27 164.09 32.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.473 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 40.4 t -128.34 124.44 36.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.996 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.542 HD13 ' HB3' ' A' ' 17' ' ' TRP . 6.3 mt -99.82 147.87 25.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.168 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 76.2 t -118.05 106.44 19.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.292 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -178.93 156.95 19.98 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.698 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -75.0 -5.22 16.52 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.506 1.793 . . . . 0.0 111.032 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.736 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . . . 161.89 -50.52 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.736 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.99 75.88 3.56 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.461 1.769 . . . . 0.0 111.013 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.591 ' CZ2' ' HB2' ' A' ' 80' ' ' LEU . 2.7 m95 -67.19 -27.49 67.31 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.463 ' CA ' ' HB3' ' A' ' 37' ' ' LYS . . . 103.59 29.48 5.6 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.49 1.118 . . . . 0.0 110.966 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.629 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -148.58 148.74 30.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 0.761 . . . . 0.0 110.975 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.68 174.66 6.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.806 HD11 HD11 ' A' ' 73' ' ' ILE . 77.9 mt -120.09 160.18 23.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -156.12 149.11 24.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.273 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.48 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 91.14 -162.02 28.22 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.544 1.153 . . . . 0.0 111.012 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 132.11 161.43 10.04 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.86 -29.08 26.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 0.757 . . . . 0.0 109.291 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -79.02 -31.55 44.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -87.39 -3.39 59.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 111.002 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 60.87 53.08 3.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.48 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 4.3 ptm -172.96 165.71 3.24 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.145 . . . . 0.0 110.996 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.4 ' O ' ' HG3' ' A' ' 29' ' ' MET . 18.4 Cg_endo -74.96 155.23 43.13 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.523 1.802 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.401 ' O ' ' HA ' ' A' ' 52' ' ' VAL . 5.8 mt -74.76 119.84 19.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -127.79 171.16 11.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.389 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.52 HG21 ' CD2' ' A' ' 36' ' ' LEU . 22.7 mm -78.47 100.89 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.42 ' HB3' ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -44.49 -57.29 3.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.98 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.505 ' HA ' HD11 ' A' ' 49' ' ' ILE . 0.5 OUTLIER -157.0 175.57 13.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 110.009 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.841 HD12 ' HB2' ' A' ' 43' ' ' SER . 0.3 OUTLIER -120.01 167.68 11.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.271 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.463 ' HB3' ' CA ' ' A' ' 18' ' ' GLY . 5.4 tttp -113.95 133.82 55.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.16 118.39 1.89 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 47.84 51.63 17.9 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.51 1.131 . . . . 0.0 111.029 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -98.5 162.66 20.64 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.76 -59.19 3.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 0.743 . . . . 0.0 109.246 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.48 ' CB ' ' HB3' ' A' ' 19' ' ' PHE . . . -42.04 -63.74 0.69 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.107 . . . . 0.0 109.367 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.841 ' HB2' HD12 ' A' ' 36' ' ' LEU . 1.4 t -47.43 -47.8 26.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.025 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -55.06 -25.72 32.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 110.268 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 42' ' ' ALA . . . -90.67 14.92 12.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 64.22 42.43 5.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.582 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.436 HG13 ' OD2' ' A' ' 51' ' ' ASP . 93.1 t -96.08 108.58 21.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.2 mtm180 -105.59 155.62 19.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.505 HD11 ' HA ' ' A' ' 35' ' ' SER . 2.9 mt -58.57 132.66 23.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.451 1.095 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 115.12 -19.39 15.22 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.484 1.115 . . . . 0.0 111.025 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.436 ' OD2' HG13 ' A' ' 47' ' ' VAL . 38.3 m-20 -53.99 124.37 15.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 0.758 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.401 ' HA ' ' O ' ' A' ' 31' ' ' LEU . 77.4 t -93.75 128.67 44.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.349 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.482 HG11 ' CG1' ' A' ' 56' ' ' ILE . 36.6 t -87.69 106.59 16.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.402 HD11 ' HB2' ' A' ' 85' ' ' GLN . 40.2 mt -75.82 -33.04 60.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.263 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.407 ' O ' ' CG1' ' A' ' 53' ' ' VAL . 18.0 p -146.14 166.79 25.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.143 . . . . 0.0 110.028 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.482 ' CG1' HG11 ' A' ' 53' ' ' VAL . 85.9 mt -142.94 89.37 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 81' ' ' ASN . 17.7 t0 75.81 55.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 63.43 13.71 51.3 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.528 1.142 . . . . 0.0 110.991 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.404 ' O ' ' HA ' ' A' ' 55' ' ' SER . 2.3 mm -107.9 138.05 36.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.519 0.776 . . . . 0.0 109.255 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.2 t -73.68 122.76 22.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 109.985 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -103.81 33.22 3.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -74.29 -64.38 1.03 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.301 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -105.46 51.94 0.74 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.528 1.143 . . . . 0.0 111.035 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.7 mtm -117.33 132.53 56.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 0.761 . . . . 0.0 111.016 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 64.3 p -79.85 157.44 26.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.374 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.444 ' NE2' ' C ' ' A' ' 21' ' ' LEU . 2.0 t-160 -43.31 -50.12 6.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.631 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 18.5 tp -55.53 -50.72 69.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.247 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -51.11 -64.69 0.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 110.285 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.03 -48.48 43.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -58.73 -41.12 85.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 110.279 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -52.61 -53.27 49.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 75' ' ' ALA . 25.1 mmmt -47.36 -61.37 1.94 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.806 HD11 HD11 ' A' ' 21' ' ' LEU . 5.9 mt -44.92 -48.71 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -51.45 -36.98 46.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 72' ' ' LYS . . . -94.55 45.8 1.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 73' ' ' ILE . 32.0 p -95.85 166.43 11.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 108.313 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.7 t -173.24 120.63 0.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.34 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 84.86 -74.75 2.45 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.8 p -141.8 164.4 30.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 0.771 . . . . 0.0 110.013 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.591 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 14.4 tp -120.32 110.58 16.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 57' ' ' ASP . 1.7 m-80 -98.55 109.24 22.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.09 . . . . 0.0 109.342 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.434 ' HB2' ' HE3' ' A' ' 82' ' ' MET . 35.0 mtm -134.68 145.15 48.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 111.028 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 20.3 m -90.69 151.04 21.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.368 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 70.0 mt -125.26 168.13 13.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.117 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.428 ' HG3' ' N ' ' A' ' 86' ' ' ARG . 1.1 tp-100 -129.29 136.8 50.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.308 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.428 ' N ' ' HG3' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -76.87 152.77 35.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.095 . . . . 0.0 110.298 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -163.96 98.42 0.85 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.62 163.41 36.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.02 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -97.35 111.25 23.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 109.342 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.92 168.83 3.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -150.01 166.95 28.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.03 130.12 53.65 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.35 126.64 40.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.991 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -77.57 157.71 79.58 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.331 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 149.85 37.21 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.504 1.792 . . . . 0.0 110.985 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 8.8 p -114.58 142.93 25.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.65 133.4 54.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.968 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.1 p -171.96 147.48 2.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.002 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -61.06 143.67 48.63 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.506 1.129 . . . . 0.0 110.957 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 138.31 22.92 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.461 1.769 . . . . 0.0 110.993 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -111.58 127.68 55.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.007 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -111.83 147.74 35.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.047 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 179.989 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.948 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.9 p -118.15 123.44 45.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 0.744 . . . . 0.0 110.01 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -143.73 169.55 17.54 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.53 1.144 . . . . 0.0 109.958 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.24 -115.85 1.23 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.488 1.118 . . . . 0.0 111.007 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -101.41 -64.68 1.03 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 0.785 . . . . 0.0 109.99 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.434 ' HB2' ' CD1' ' A' ' 54' ' ' LEU . 0.6 OUTLIER -134.31 -46.9 0.77 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.002 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.86 136.4 2.21 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.0 m -106.47 156.4 18.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 0.764 . . . . 0.0 110.008 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.467 ' CG2' ' N ' ' A' ' 10' ' ' SER . 1.4 p -143.53 164.36 15.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.467 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 9.4 t -134.39 129.37 35.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.008 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.406 HD12 ' CE2' ' A' ' 19' ' ' PHE . 35.4 mt -113.07 148.57 34.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.346 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.42 ' O ' HG13 ' A' ' 12' ' ' VAL . 7.1 p -117.8 106.62 20.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -176.2 157.05 22.56 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.461 1.1 . . . . 0.0 111.022 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.711 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.01 -6.06 17.57 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.526 1.803 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.724 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . . . 161.96 -50.25 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.57 1.169 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.724 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.0 77.46 3.13 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.441 1.758 . . . . 0.0 110.959 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.609 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 2.1 m95 -71.03 -24.9 62.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 108.016 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.458 ' O ' HD13 ' A' ' 36' ' ' LEU . . . 108.06 3.88 33.68 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.498 1.124 . . . . 0.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.608 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 0.7 OUTLIER -121.96 139.77 53.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 0.779 . . . . 0.0 110.968 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.446 ' CB ' ' OG ' ' A' ' 34' ' ' SER . 2.7 mmm180 -106.99 174.32 5.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 110.294 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.557 HD23 HD13 ' A' ' 33' ' ' ILE . 72.9 mt -135.5 154.66 51.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -158.94 149.27 19.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 110.297 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.486 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 100.99 -157.38 19.17 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.125 . . . . 0.0 111.043 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 121.96 -175.48 16.31 Favored Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.18 -53.51 43.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 0.754 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -59.16 -17.44 27.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -97.48 -15.05 20.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 110.983 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 70.04 35.48 2.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.255 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.486 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 3.3 ptm -157.61 165.41 18.78 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.149 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 154.43 42.45 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.488 1.783 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.6 mt -75.33 111.27 10.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.419 ' HA ' ' O ' ' A' ' 51' ' ' ASP . 0.6 OUTLIER -119.7 167.56 11.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.445 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.557 HD13 HD23 ' A' ' 21' ' ' LEU . 51.4 mm -78.23 102.02 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.446 ' OG ' ' CB ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -44.1 -56.01 4.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.157 . . . . 0.0 110.006 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -161.26 179.95 7.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.992 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.975 HD11 ' HB3' ' A' ' 42' ' ' ALA . 0.2 OUTLIER -130.57 151.94 50.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 18' ' ' GLY . 6.2 ttpt -95.93 149.48 21.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -57.3 118.02 4.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.37 46.71 86.51 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.463 1.102 . . . . 0.0 110.981 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -87.95 160.89 31.44 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.14 -47.07 72.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 0.789 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.975 ' HB3' HD11 ' A' ' 36' ' ' LEU . . . -55.59 -56.73 16.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.2 p -54.64 -34.21 61.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.002 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -69.0 -21.95 64.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 110.335 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.404 ' HB3' HG23 ' A' ' 47' ' ' VAL . . . -89.44 11.14 20.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 13.3 m-70 65.99 37.61 5.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.566 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.404 HG23 ' HB3' ' A' ' 45' ' ' ALA . 60.5 t -94.75 113.58 29.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -95.93 152.23 18.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 110.277 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.415 HD13 ' HA ' ' A' ' 49' ' ' ILE . 21.1 mm -58.34 138.17 19.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 108.91 -11.87 34.7 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.469 1.106 . . . . 0.0 111.011 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.723 ' CG ' HD22 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -53.6 142.12 23.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 0.744 . . . . 0.0 109.314 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 75.5 t -110.69 116.79 53.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.474 ' CG1' ' O ' ' A' ' 55' ' ' SER . 61.4 t -71.59 104.6 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.434 ' CD1' ' HB2' ' A' ' 6' ' ' SER . 39.7 mt -71.8 -37.45 70.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.474 ' O ' ' CG1' ' A' ' 53' ' ' VAL . 33.9 p -141.01 169.35 17.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.996 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.652 ' CD1' ' HB1' ' A' ' 69' ' ' ALA . 77.1 mt -143.77 86.28 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 81' ' ' ASN . 5.4 t70 76.73 46.57 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 73.55 2.86 61.1 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.473 1.108 . . . . 0.0 110.984 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.4 mm -97.2 144.22 11.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.482 0.754 . . . . 0.0 109.33 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.64 115.81 16.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 110.004 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -94.8 28.13 2.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -85.67 -49.39 8.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.412 1.07 . . . . 0.0 110.297 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -109.8 47.64 1.02 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.499 1.124 . . . . 0.0 111.042 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 7.7 mtm -129.01 134.82 48.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 0.761 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.452 ' OG1' ' CG ' ' A' ' 68' ' ' GLU . 27.3 p -74.45 171.52 13.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.398 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -54.57 -54.28 43.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.58 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 1.032 HD13 ' N ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -56.94 -47.01 81.68 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 1.032 ' N ' HD13 ' A' ' 67' ' ' LEU . 22.9 mm-40 -47.15 -57.99 4.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.272 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.722 ' O ' HD12 ' A' ' 73' ' ' ILE . . . -58.86 -46.25 88.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.344 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -56.58 -39.69 73.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.289 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.558 ' OD1' HD21 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -57.97 -50.06 74.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.416 ' NZ ' ' HB3' ' A' ' 72' ' ' LYS . 0.6 OUTLIER -54.32 -63.29 1.2 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.722 HD12 ' O ' ' A' ' 69' ' ' ALA . 3.4 mt -45.82 -34.34 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.107 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.14 -51.84 67.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.336 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.512 ' O ' HG23 ' A' ' 77' ' ' THR . . . -54.7 -37.82 66.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.459 ' SG ' HD12 ' A' ' 80' ' ' LEU . 19.4 m -65.94 122.8 18.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 108.305 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.512 HG23 ' O ' ' A' ' 75' ' ' ALA . 59.8 p -118.05 -52.56 2.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.387 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -63.95 -78.52 0.19 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.542 1.152 . . . . 0.0 111.013 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.8 p -129.19 163.76 24.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 0.735 . . . . 0.0 110.014 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.564 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 14.2 tp -115.4 125.58 53.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 57' ' ' ASP . 1.0 OUTLIER -114.9 105.34 12.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.526 ' HE1' ' CZ ' ' A' ' 19' ' ' PHE . 45.6 mtm -136.0 167.14 21.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 111.042 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.9 m -117.78 147.21 43.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.371 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.723 HD22 ' CG ' ' A' ' 51' ' ' ASP . 8.7 mt -117.74 159.6 22.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.431 ' HB2' HD21 ' A' ' 54' ' ' LEU . 39.7 tt0 -108.62 123.1 48.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.312 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -79.38 118.83 21.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.309 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -96.43 75.53 2.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.553 1.158 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.3 m 38.88 87.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.991 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . 52.49 -177.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -144.68 119.8 10.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -41.8 138.33 1.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.63 164.48 34.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.14 132.53 56.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 110.016 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -110.59 140.68 22.8 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.331 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 137.12 21.37 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.475 1.776 . . . . 0.0 111.019 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 16.7 m -76.65 124.62 35.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.22 135.78 54.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.992 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.4 m -91.06 167.11 12.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.096 . . . . 0.0 110.013 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -158.7 -178.53 32.8 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 109.43 2.93 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.508 1.794 . . . . 0.0 110.963 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.8 t -75.71 126.21 30.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.014 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 17.3 m -118.09 96.82 5.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 110.009 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.51 1.131 . . . . 0.0 110.967 179.996 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -137.79 112.42 8.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 0.743 . . . . 0.0 110.001 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.9 p -88.04 167.46 13.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 109.992 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.46 149.97 51.66 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.482 1.114 . . . . 0.0 110.964 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.9 m -118.1 -176.63 3.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 0.76 . . . . 0.0 110.018 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.9 m -168.08 168.12 12.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.987 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.57 144.75 4.46 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.502 1.126 . . . . 0.0 111.056 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.8 p -88.73 146.09 25.24 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 0.765 . . . . 0.0 110.016 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.673 HG11 HD11 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -117.04 153.69 18.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.274 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 36.1 t -122.62 122.53 39.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.995 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.458 HD12 ' HE2' ' A' ' 19' ' ' PHE . 39.3 mt -113.47 145.05 41.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.4 p -112.79 106.35 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -173.04 154.77 21.39 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.721 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.02 -6.94 18.68 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.438 1.757 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.721 ' HB2' ' O ' ' A' ' 14' ' ' PRO . . . 161.26 -49.63 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.709 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.96 80.24 2.47 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.505 1.792 . . . . 0.0 111.016 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.658 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 1.9 m95 -75.76 -22.22 56.68 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 107.83 -14.39 37.95 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.511 1.132 . . . . 0.0 110.987 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.545 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 1.4 p90 -106.31 157.98 17.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 0.739 . . . . 0.0 110.991 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.46 167.98 16.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.442 ' CD2' HD13 ' A' ' 33' ' ' ILE . 23.0 mt -121.02 161.81 21.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -158.42 147.77 19.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.174 . . . . 0.0 110.282 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.481 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 98.49 -163.12 20.72 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.519 1.137 . . . . 0.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.46 179.95 16.84 Favored Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.95 -44.67 79.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 0.746 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.71 -14.84 63.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.095 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.441 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 6.0 m-85 -97.49 -24.85 15.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.441 ' CB ' ' O ' ' A' ' 27' ' ' PHE . 1.3 t-20 77.8 46.16 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.481 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 3.0 ptm -167.46 165.75 8.49 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 111.009 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 152.82 41.15 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.475 1.776 . . . . 0.0 110.993 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 mt -75.48 109.71 9.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -118.09 168.24 10.74 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 110.436 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.585 HG22 ' CD1' ' A' ' 49' ' ' ILE . 17.6 mm -78.34 102.99 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -47.76 -62.14 1.6 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 110.01 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.15 -173.93 4.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.991 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.908 HD21 ' HB3' ' A' ' 42' ' ' ALA . 0.3 OUTLIER -156.53 158.73 37.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 62.1 tttt -95.11 147.22 23.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -51.74 117.69 2.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 50.15 41.22 38.18 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.52 -145.36 0.58 Allowed Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.15 -63.43 1.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.763 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.908 ' HB3' HD21 ' A' ' 36' ' ' LEU . . . -46.26 -42.31 14.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.4 t -62.26 -41.8 98.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.98 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -63.08 -24.81 68.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 110.27 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.76 7.88 31.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.112 . . . . 0.0 109.349 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 26.1 m-70 67.15 45.2 1.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 109.589 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 66.6 t -108.0 115.73 49.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.6 mtm180 -98.75 136.3 38.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 110.317 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.585 ' CD1' HG22 ' A' ' 33' ' ' ILE . 20.8 mm -41.09 141.39 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 109.349 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 109.39 -13.13 33.36 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.527 1.142 . . . . 0.0 111.045 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.755 ' OD1' HD22 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -53.96 141.96 26.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 0.787 . . . . 0.0 109.243 -179.945 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 73.2 t -108.69 118.0 55.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.487 HG11 ' CG1' ' A' ' 56' ' ' ILE . 28.8 t -72.79 103.97 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 87.7 mt -70.98 -39.19 72.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.3 m -152.18 159.61 43.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.123 . . . . 0.0 110.027 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.487 ' CG1' HG11 ' A' ' 53' ' ' VAL . 17.8 mt -131.37 128.98 62.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 81' ' ' ASN . 34.8 t70 55.22 20.58 3.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 97.0 -3.29 62.16 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.535 1.147 . . . . 0.0 110.98 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.424 HG13 ' CE ' ' A' ' 72' ' ' LYS . 5.1 mm -89.77 125.37 42.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.516 0.774 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.51 121.27 14.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.997 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -89.54 42.86 1.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -81.86 -39.37 24.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.275 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -131.8 46.71 1.05 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.488 1.118 . . . . 0.0 110.969 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.5 mtm -119.14 144.76 46.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 111.028 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 73.2 p -95.01 159.56 14.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.368 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -42.84 -53.43 4.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.559 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 11.7 tp -48.91 -56.91 7.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -50.16 -64.19 0.89 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.294 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.474 ' HB1' HD12 ' A' ' 56' ' ' ILE . . . -50.08 -47.02 53.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.9 -42.65 85.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -53.45 -52.78 58.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.424 ' CE ' HG13 ' A' ' 59' ' ' ILE . 36.6 mmtt -52.28 -53.46 43.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 6.8 mt -53.68 -30.15 18.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.98 -24.81 35.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.98 -13.07 57.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.279 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.522 ' SG ' HD12 ' A' ' 80' ' ' LEU . 74.6 m -89.41 97.57 11.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 108.318 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.8 p -105.97 85.34 2.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.407 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 144.24 -68.96 0.42 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.529 1.143 . . . . 0.0 110.957 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.0 p -130.54 159.5 36.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 0.76 . . . . 0.0 110.02 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.573 ' HB2' ' CH2' ' A' ' 17' ' ' TRP . 12.7 tp -122.51 133.87 54.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 109.279 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 57' ' ' ASP . 0.7 OUTLIER -128.11 105.28 8.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.286 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.437 ' HE1' ' CZ ' ' A' ' 19' ' ' PHE . 27.0 mtm -137.68 164.33 29.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 111.051 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.6 m -107.6 150.7 26.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 110.38 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.755 HD22 ' OD1' ' A' ' 51' ' ' ASP . 11.5 mt -124.62 160.3 28.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.344 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -113.97 120.18 39.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.259 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -81.84 119.36 23.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.318 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -125.07 78.95 1.75 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.18 82.73 1.99 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.995 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -168.24 107.08 0.5 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -173.97 175.94 2.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -175.11 86.39 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.35 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.32 119.98 39.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.9 m -115.54 109.76 18.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.008 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -100.38 132.8 21.96 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.32 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 117.48 4.93 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.512 1.796 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 77.5 t -98.21 100.64 10.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.316 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.0 m -105.82 146.08 30.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.022 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 32.4 p -168.71 155.24 7.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.976 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -129.55 70.35 0.52 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 98.61 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.54 1.811 . . . . 0.0 110.972 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.5 m -119.95 105.14 10.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.044 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.68 148.46 25.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.995 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.539 1.149 . . . . 0.0 110.978 -179.977 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.7 m -152.99 -57.01 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 0.773 . . . . 0.0 109.959 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.1 m -135.64 142.38 45.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.044 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.08 166.32 38.65 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.5 p -165.21 -57.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 0.741 . . . . 0.0 109.988 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.8 p -168.12 172.77 8.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.059 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.02 141.01 3.18 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.487 1.117 . . . . 0.0 111.026 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.3 p -99.24 154.7 17.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.593 0.82 . . . . 0.0 109.992 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.433 ' CG2' ' N ' ' A' ' 10' ' ' SER . 0.5 OUTLIER -121.43 160.12 23.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.433 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 19.0 t -128.4 122.99 32.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.999 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 70.3 mt -115.14 144.15 44.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 75.3 t -114.49 106.86 21.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -174.8 156.64 23.18 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.509 1.131 . . . . 0.0 110.945 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.706 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -75.05 -5.57 16.93 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.496 1.787 . . . . 0.0 111.004 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.729 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . . . 161.72 -50.14 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.729 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.95 78.67 2.83 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.472 1.775 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.625 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 2.2 m95 -73.0 -24.26 60.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 108.028 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.469 ' CA ' ' HB3' ' A' ' 37' ' ' LYS . . . 105.66 27.76 5.63 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.49 1.119 . . . . 0.0 110.984 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.591 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 1.2 p90 -148.7 144.29 27.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 0.762 . . . . 0.0 110.986 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.416 ' CB ' ' OG ' ' A' ' 34' ' ' SER . 5.2 mmm180 -111.19 165.35 11.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 21' ' ' LEU . 31.4 mt -126.21 157.68 37.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -158.07 153.17 25.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 110.302 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.486 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 98.17 -155.9 20.36 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.485 1.116 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 119.88 -176.65 16.22 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.437 ' HB3' HG22 ' A' ' 65' ' ' THR . 3.6 ttpt -66.73 -49.49 65.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 0.742 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.03 -18.66 47.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -98.95 -18.81 17.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 111.03 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.9 t30 75.49 39.42 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.486 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 5.9 ptm -161.45 164.98 17.44 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.997 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 156.58 42.7 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.48 1.779 . . . . 0.0 110.995 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.406 ' O ' ' HA ' ' A' ' 52' ' ' VAL . 1.6 mt -75.3 117.37 17.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.103 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -124.52 167.34 14.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.432 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 26.0 mm -78.49 101.65 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.416 ' OG ' ' CB ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -46.24 -59.9 2.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.993 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.89 179.72 8.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.994 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.876 HD12 ' HB3' ' A' ' 43' ' ' SER . 0.4 OUTLIER -119.4 167.78 11.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.469 ' HB3' ' CA ' ' A' ' 18' ' ' GLY . 11.8 tttt -114.78 128.02 56.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -42.41 115.29 0.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.6 47.81 81.67 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -90.74 179.32 42.93 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.63 -56.84 4.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 0.762 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.44 ' CB ' ' HB3' ' A' ' 19' ' ' PHE . . . -41.58 -58.68 1.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.876 ' HB3' HD12 ' A' ' 36' ' ' LEU . 2.9 p -47.61 -48.41 28.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.158 . . . . 0.0 109.983 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -65.11 -22.17 66.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.249 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 42' ' ' ALA . . . -90.67 15.21 11.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.41 ' HA ' ' NH2' ' A' ' 48' ' ' ARG . 14.6 m-70 62.28 49.63 4.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.602 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.462 HG22 HD11 ' A' ' 84' ' ' LEU . 47.5 t -108.27 98.96 7.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.455 ' NH2' ' O ' ' A' ' 43' ' ' SER . 8.9 mmp_? -87.82 165.65 15.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.338 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 1.9 mt -72.8 129.43 35.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 111.68 -13.46 27.4 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.555 1.159 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -53.76 123.42 12.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.578 0.81 . . . . 0.0 109.281 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.406 ' HA ' ' O ' ' A' ' 31' ' ' LEU . 81.9 t -90.1 127.64 42.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.48 ' CG1' HG13 ' A' ' 56' ' ' ILE . 38.6 t -82.46 105.87 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 37.7 mt -70.25 -47.89 59.36 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 0.0 109.341 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 25.2 m -142.62 162.57 35.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.155 . . . . 0.0 109.992 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.509 ' CD1' ' HB1' ' A' ' 69' ' ' ALA . 35.1 mt -136.76 117.33 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.249 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 81' ' ' ASN . 18.6 t70 61.83 39.28 14.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 77.04 2.04 76.27 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.506 1.129 . . . . 0.0 110.982 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.468 HG13 ' CE ' ' A' ' 72' ' ' LYS . 2.9 mm -96.95 123.53 49.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.519 0.776 . . . . 0.0 109.264 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.1 123.99 21.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 110.001 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -88.19 44.58 1.21 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -99.21 67.23 1.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.334 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 136.35 -39.2 1.68 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.496 1.122 . . . . 0.0 110.978 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 13.1 mtm -43.93 137.48 3.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 0.75 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.437 HG22 ' HB3' ' A' ' 25' ' ' LYS . 68.0 p -83.1 168.38 16.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.341 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -49.01 -49.27 41.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.605 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 1.01 HD13 ' N ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -58.41 -49.52 76.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 1.01 ' N ' HD13 ' A' ' 67' ' ' LEU . 2.7 mt-10 -47.85 -56.98 6.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.509 ' HB1' ' CD1' ' A' ' 56' ' ' ILE . . . -58.6 -43.14 89.44 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -40.45 93.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.577 ' OD1' HD21 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -56.62 -49.19 75.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.336 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.587 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 36.2 mmtm -56.91 -52.12 66.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.612 ' HA ' HD11 ' A' ' 80' ' ' LEU . 5.6 mt -48.17 -49.99 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.344 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.09 -26.38 67.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.587 ' HB3' ' O ' ' A' ' 72' ' ' LYS . . . -66.66 -19.23 65.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.335 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 14.1 p -42.14 150.9 0.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 108.291 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 71.4 p -122.08 -44.12 2.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 110.401 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -133.01 -48.05 0.1 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.483 1.114 . . . . 0.0 110.974 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.78 154.6 45.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 0.775 . . . . 0.0 110.036 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.612 HD11 ' HA ' ' A' ' 73' ' ' ILE . 9.8 tp -98.05 145.78 26.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.217 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.408 ' O ' ' N ' ' A' ' 57' ' ' ASP . 0.6 OUTLIER -137.1 104.83 5.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.441 ' HE1' HD23 ' A' ' 80' ' ' LEU . 27.3 mtm -135.47 146.37 48.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.1 m -91.82 144.26 25.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.435 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.462 HD11 HG22 ' A' ' 47' ' ' VAL . 62.5 mt -115.77 155.36 27.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -101.68 120.36 40.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 110.323 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -77.24 120.45 22.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -140.7 80.6 1.76 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 66.3 m -75.04 169.07 18.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.013 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -89.65 118.99 29.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -119.97 84.73 2.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -170.31 130.44 0.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.466 ' CD ' ' N ' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -147.32 131.48 17.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.135 . . . . 0.0 109.332 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.05 109.14 16.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.994 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -103.58 106.27 51.32 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 125.61 9.39 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.437 1.757 . . . . 0.0 111.012 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 83.7 t -117.99 138.29 49.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.53 113.68 23.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.978 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.1 m -76.65 137.56 39.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.029 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 133.92 92.66 0.47 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.5 1.125 . . . . 0.0 111.026 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 144.77 30.5 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.527 1.804 . . . . 0.0 110.95 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.3 t -111.53 140.0 46.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 110.003 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.1 t -133.36 109.22 9.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.991 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.496 1.123 . . . . 0.0 111.042 179.966 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.945 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.0 p -124.79 156.65 37.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 0.725 . . . . 0.0 110.011 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.96 143.48 19.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.008 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.53 83.5 1.74 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.496 1.123 . . . . 0.0 110.98 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.35 153.72 2.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 0.787 . . . . 0.0 110.019 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.2 m -86.38 -80.91 0.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.998 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.78 106.67 0.47 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.114 . . . . 0.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 54.2 p -105.65 157.52 17.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 0.754 . . . . 0.0 110.006 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.465 ' CG2' ' N ' ' A' ' 10' ' ' SER . 1.6 p -144.11 164.06 14.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.465 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 33.9 t -137.34 126.01 23.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.028 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.423 ' O ' ' HA ' ' A' ' 79' ' ' SER . 12.5 mt -111.31 154.38 24.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 69.5 t -118.46 107.59 22.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.165 . . . . 0.0 109.302 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -175.3 154.89 19.09 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.477 1.111 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.712 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.96 -6.43 18.07 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.474 1.776 . . . . 0.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.723 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . . . 161.94 -49.87 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.723 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.0 76.16 3.48 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.503 1.791 . . . . 0.0 110.996 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.812 ' NE1' HD22 ' A' ' 80' ' ' LEU . 2.9 m95 -69.73 -24.82 63.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 108.016 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.476 ' CA ' ' HB3' ' A' ' 37' ' ' LYS . . . 104.84 30.1 4.99 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.443 1.089 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.584 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 1.6 p90 -148.98 155.76 41.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 0.754 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -119.96 164.1 16.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.295 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.441 HD23 HD13 ' A' ' 33' ' ' ILE . 77.9 mt -128.69 152.69 48.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -156.25 148.38 23.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 110.251 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.477 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 103.46 -158.52 17.28 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 121.34 -173.35 15.58 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.15 -54.62 19.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 0.773 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -57.67 -18.8 22.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -96.83 -15.03 21.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 35.6 t-20 72.25 36.37 1.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.477 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 4.2 ptm -160.89 165.25 17.59 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.09 . . . . 0.0 110.982 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 155.56 42.95 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.519 1.799 . . . . 0.0 110.982 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.486 HD21 ' HA ' ' A' ' 66' ' ' HIS . 5.0 mt -75.29 110.85 9.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 109.268 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -118.84 166.89 12.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 110.398 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.441 HD13 HD23 ' A' ' 21' ' ' LEU . 26.2 mm -78.24 105.11 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.26 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.5 -61.52 1.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.023 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.571 ' HA ' HD11 ' A' ' 49' ' ' ILE . 0.6 OUTLIER -154.8 175.75 13.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.008 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.861 HD12 ' HB3' ' A' ' 43' ' ' SER . 0.3 OUTLIER -115.16 158.47 22.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.476 ' HB3' ' CA ' ' A' ' 18' ' ' GLY . 3.0 tttt -101.91 137.8 39.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -46.1 117.4 1.53 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 46.18 48.31 15.25 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -86.29 -174.71 49.61 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -73.86 -58.42 3.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 0.0 109.324 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 45' ' ' ALA . . . -39.51 -56.66 1.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.861 ' HB3' HD12 ' A' ' 36' ' ' LEU . 70.1 p -47.59 -48.33 28.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.0 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -63.57 -21.43 66.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.277 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 42' ' ' ALA . . . -88.79 13.45 12.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.267 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 11.7 m-70 60.84 37.79 18.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.596 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.402 HG13 ' OD2' ' A' ' 51' ' ' ASP . 43.1 t -95.15 112.69 28.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.351 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.403 ' O ' ' OD1' ' A' ' 51' ' ' ASP . 5.0 mtm180 -101.31 157.76 16.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.32 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.571 HD11 ' HA ' ' A' ' 35' ' ' SER . 2.2 mt -63.2 131.41 28.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 113.4 -14.89 22.78 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.481 1.113 . . . . 0.0 110.974 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 48' ' ' ARG . 23.4 m-20 -54.45 123.58 13.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 0.802 . . . . 0.0 109.359 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 91.1 t -92.76 130.88 41.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.613 HG11 HD11 ' A' ' 56' ' ' ILE . 45.3 t -82.43 110.56 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 78.2 mt -76.78 -47.74 20.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.6 m -143.52 165.14 28.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.006 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.613 HD11 HG11 ' A' ' 53' ' ' VAL . 15.7 mt -142.96 131.48 20.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 26.1 t0 54.63 27.83 9.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 85.79 3.31 85.98 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.489 1.118 . . . . 0.0 111.035 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.412 ' O ' ' N ' ' A' ' 56' ' ' ILE . 3.7 mm -97.98 125.51 51.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 0.775 . . . . 0.0 109.258 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.5 t -66.77 125.42 25.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.008 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -87.51 44.66 1.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.273 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -103.3 41.27 1.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 155.39 44.13 0.02 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.47 1.106 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 31.4 mtm -133.86 139.99 46.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 0.785 . . . . 0.0 110.934 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 17.3 p -86.26 170.33 12.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.387 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.503 ' O ' ' CG ' ' A' ' 70' ' ' GLN . 3.1 t-160 -49.51 -44.92 46.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.581 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 1.006 HD13 ' N ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -58.34 -51.54 69.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.568 1.168 . . . . 0.0 109.283 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 1.006 ' N ' HD13 ' A' ' 67' ' ' LEU . 1.3 mt-10 -47.74 -64.72 0.71 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.125 . . . . 0.0 110.254 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.586 ' O ' HD12 ' A' ' 73' ' ' ILE . . . -48.74 -50.1 35.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.503 ' CG ' ' O ' ' A' ' 66' ' ' HIS . 6.2 mm-40 -55.57 -44.54 76.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.278 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.538 ' OD1' HD21 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -53.53 -51.15 63.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.266 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 75' ' ' ALA . 28.8 mmtt -55.78 -58.63 7.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.565 1.166 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.725 ' HA ' HD11 ' A' ' 80' ' ' LEU . 4.2 mt -50.13 -43.38 21.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.348 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.2 mtpt -65.93 -26.39 67.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.817 ' O ' HG23 ' A' ' 77' ' ' THR . . . -77.36 -36.48 53.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.529 ' SG ' HD12 ' A' ' 80' ' ' LEU . 3.3 m -60.75 112.63 2.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 108.322 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.817 HG23 ' O ' ' A' ' 75' ' ' ALA . 64.6 p -115.58 90.07 3.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.402 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 135.31 -62.51 0.61 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.504 1.127 . . . . 0.0 110.998 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.423 ' HA ' ' O ' ' A' ' 11' ' ' LEU . 2.3 p -133.73 160.93 36.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 0.771 . . . . 0.0 109.997 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.812 HD22 ' NE1' ' A' ' 17' ' ' TRP . 8.4 tp -120.58 116.81 26.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -109.6 105.11 14.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 24.8 mtm -139.1 149.86 45.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 111.018 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.7 m -100.13 145.19 28.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.423 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 59.4 mt -115.26 160.7 19.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.239 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -105.55 122.28 45.69 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.493 1.121 . . . . 0.0 110.26 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.75 153.42 32.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.277 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -161.22 97.79 1.14 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.099 . . . . 0.0 109.281 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.419 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -116.05 173.87 6.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.01 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.419 ' HB2' ' O ' ' A' ' 88' ' ' SER . . . 179.81 172.91 0.96 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.268 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 59.75 90.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -90.03 85.15 6.24 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 59.8 82.47 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.2 t -105.19 131.2 52.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.994 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.72 151.63 58.58 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.27 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 101.37 1.46 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.489 1.784 . . . . 0.0 111.032 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 59.6 t -72.78 130.94 35.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.95 102.52 2.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.536 1.147 . . . . 0.0 109.985 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -175.39 84.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 110.037 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -160.14 -68.64 0.02 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 132.48 15.43 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.531 1.806 . . . . 0.0 110.967 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.6 m -101.21 156.68 17.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.13 . . . . 0.0 110.055 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.03 138.53 40.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.997 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.507 1.129 . . . . 0.0 111.025 -179.998 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.03 127.48 42.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.761 . . . . 0.0 109.951 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.2 -62.12 1.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.004 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.45 -134.1 10.47 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.547 1.154 . . . . 0.0 110.972 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.9 p -110.36 167.67 10.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 0.798 . . . . 0.0 110.02 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.0 p 50.27 -178.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.949 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.49 148.97 6.85 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.475 1.109 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.8 p -106.46 152.08 24.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 0.765 . . . . 0.0 109.996 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.44 HG21 ' HB1' ' A' ' 45' ' ' ALA . 0.4 OUTLIER -120.8 158.17 23.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.405 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 40.2 t -126.95 124.01 38.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.939 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 30.9 mt -115.53 149.15 38.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 75.4 t -117.54 106.55 20.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -173.92 154.71 20.25 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.494 1.121 . . . . 0.0 110.986 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.708 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 18.5 Cg_endo -74.98 -5.63 17.05 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.447 1.761 . . . . 0.0 111.048 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.725 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . . . 161.47 -49.93 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.725 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.05 78.21 2.96 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.501 1.79 . . . . 0.0 110.961 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.636 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 2.5 m95 -72.94 -23.58 60.7 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.463 ' O ' ' N ' ' A' ' 37' ' ' LYS . . . 106.13 28.15 5.35 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.572 ' CD2' ' HB2' ' A' ' 17' ' ' TRP . 2.3 p90 -150.17 152.07 34.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 0.743 . . . . 0.0 111.032 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.497 ' O ' HD23 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -116.55 163.64 15.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.577 1.173 . . . . 0.0 110.289 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.506 ' CD2' HD13 ' A' ' 33' ' ' ILE . 15.8 mt -123.18 149.58 44.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -150.59 152.54 34.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.319 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.481 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 96.1 -163.64 23.32 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.527 1.142 . . . . 0.0 111.033 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 128.81 174.59 13.77 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.9 ttpt -61.86 -29.29 70.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 0.784 . . . . 0.0 109.327 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -80.01 -20.19 46.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -99.93 0.43 41.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 110.999 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.2 m-20 61.35 39.3 15.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.481 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 7.0 ptm -162.81 163.5 17.57 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 111.016 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 158.45 42.53 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.492 1.786 . . . . 0.0 111.06 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.6 mt -75.75 113.42 13.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -123.23 168.62 12.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.391 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.506 HD13 ' CD2' ' A' ' 21' ' ' LEU . 34.2 mm -78.51 102.09 4.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.462 ' HB3' ' CB ' ' A' ' 20' ' ' ARG . 23.1 t -49.46 -64.43 0.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.994 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.492 ' HA ' HD11 ' A' ' 49' ' ' ILE . 0.6 OUTLIER -145.17 173.87 11.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 0.0 109.966 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.672 HD12 ' HB2' ' A' ' 43' ' ' SER . 0.2 OUTLIER -123.18 152.86 40.79 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 18' ' ' GLY . 14.3 tttt -95.84 134.57 38.65 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.77 126.28 15.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 41.66 53.56 4.37 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -100.54 -173.68 29.61 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -71.77 -57.48 4.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 0.739 . . . . 0.0 109.329 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 45' ' ' ALA . . . -39.83 -64.59 0.47 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.672 ' HB2' HD12 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -47.49 -46.67 27.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.954 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -59.89 -24.91 64.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 110.27 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 42' ' ' ALA . . . -86.53 8.81 20.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.254 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.448 ' O ' ' NH1' ' A' ' 48' ' ' ARG . 19.6 m-70 65.51 45.14 2.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.566 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 87.8 t -105.62 108.24 24.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.448 ' NH1' ' O ' ' A' ' 46' ' ' HIS . 0.1 OUTLIER -95.19 157.52 15.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 110.307 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.492 HD11 ' HA ' ' A' ' 35' ' ' SER . 2.5 mt -62.41 135.09 27.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 107.47 -11.41 39.35 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.497 1.123 . . . . 0.0 110.975 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -59.02 128.92 39.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 0.752 . . . . 0.0 109.273 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 83.5 t -94.5 138.3 21.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.455 HG11 ' CG1' ' A' ' 56' ' ' ILE . 28.5 t -91.34 102.53 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 26.4 mt -68.39 -41.74 80.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.8 p -140.57 168.54 19.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.015 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.455 ' CG1' HG11 ' A' ' 53' ' ' VAL . 35.5 mt -142.09 129.03 19.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 81' ' ' ASN . 8.3 t0 53.95 21.85 3.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 87.04 16.6 60.76 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.538 1.149 . . . . 0.0 111.012 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.3 mt -114.8 152.93 16.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 0.78 . . . . 0.0 109.339 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.63 123.48 21.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 110.013 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -93.83 22.31 5.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -88.72 94.57 9.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 122.32 -51.5 0.79 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.462 1.101 . . . . 0.0 111.006 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 33.2 mtm -41.82 133.47 2.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 0.764 . . . . 0.0 110.964 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.9 p -80.16 169.71 17.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.382 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.447 ' NE2' ' C ' ' A' ' 21' ' ' LEU . 3.8 t-160 -45.96 -59.22 2.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.614 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 1.008 HD13 ' N ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -47.21 -54.39 10.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 109.357 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 1.008 ' N ' HD13 ' A' ' 67' ' ' LEU . 1.4 mt-10 -47.69 -58.7 3.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.711 ' O ' HD12 ' A' ' 73' ' ' ILE . . . -52.32 -41.0 62.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -67.73 -37.82 82.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.281 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.562 ' OD1' HD21 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -59.13 -49.82 76.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 26.0 mmmt -58.17 -52.98 63.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.711 HD12 ' O ' ' A' ' 69' ' ' ALA . 7.7 mt -55.57 -35.97 40.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.251 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -65.06 -46.92 79.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.8 -34.66 65.52 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.259 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.57 ' SG ' HD12 ' A' ' 80' ' ' LEU . 85.5 m -59.23 91.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 108.362 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.629 HG23 ' O ' ' A' ' 77' ' ' THR . 10.3 t -104.28 72.2 1.05 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.48 1.112 . . . . 0.0 110.412 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 157.16 -63.23 0.32 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.456 1.097 . . . . 0.0 110.982 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.9 p -139.13 159.41 42.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 0.732 . . . . 0.0 109.996 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.582 ' HB2' ' CH2' ' A' ' 17' ' ' TRP . 15.0 tp -118.84 131.14 56.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.451 ' O ' ' N ' ' A' ' 57' ' ' ASP . 0.7 OUTLIER -126.65 104.86 8.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 25.9 mtm -141.43 151.49 43.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.955 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.9 m -97.71 146.29 25.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.418 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 42.0 mt -116.58 164.48 14.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -116.55 127.41 54.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.358 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -76.68 121.27 23.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.324 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -110.76 79.37 1.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 80.0 p -98.93 167.66 10.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.03 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . 63.77 78.72 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -135.71 60.99 1.67 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.08 168.48 3.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.19 154.64 47.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.51 99.06 7.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.988 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -117.42 138.09 24.71 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 134.87 18.25 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 0.0 111.038 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 80.0 t -108.18 127.02 64.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 88.5 p -113.83 145.16 41.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.015 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.6 t -178.2 118.14 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.977 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -49.26 105.61 0.15 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.452 1.095 . . . . 0.0 110.991 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 69.7 5.47 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.482 1.78 . . . . 0.0 111.037 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 88.2 p -107.52 146.21 32.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.031 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -119.53 119.43 33.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.019 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.471 1.107 . . . . 0.0 111.057 179.954 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 t -113.81 82.42 1.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 0.791 . . . . 0.0 109.967 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.4 m -142.93 108.85 5.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.991 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.54 86.43 0.06 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.494 1.121 . . . . 0.0 111.033 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.01 144.71 0.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 0.747 . . . . 0.0 110.03 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.76 -176.12 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.008 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.54 149.49 5.81 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.479 1.112 . . . . 0.0 111.027 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.2 p -88.57 152.29 21.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 0.746 . . . . 0.0 109.976 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.473 ' CG2' ' N ' ' A' ' 10' ' ' SER . 1.5 p -126.66 164.62 26.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.351 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.473 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 46.8 t -134.23 123.85 24.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.963 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 17.1 mt -113.25 150.46 32.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.33 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.0 p -117.78 106.8 20.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.555 1.159 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -175.16 154.82 19.11 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.451 1.094 . . . . 0.0 111.015 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.71 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.99 -5.71 17.15 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.544 1.813 . . . . 0.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.724 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . . . 161.69 -50.19 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.724 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.01 76.46 3.4 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.454 1.765 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.62 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 2.5 m95 -70.5 -24.52 62.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 108.009 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 104.62 29.65 5.23 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.551 1.157 . . . . 0.0 110.97 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.575 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 1.3 p90 -150.86 145.41 25.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 0.773 . . . . 0.0 110.962 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.9 mtm180 -110.13 169.97 8.38 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.431 1.082 . . . . 0.0 110.264 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.478 ' CD2' HD13 ' A' ' 33' ' ' ILE . 48.3 mt -131.23 148.09 52.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -146.42 142.21 27.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.329 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.475 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 106.49 -163.81 13.53 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.517 1.136 . . . . 0.0 111.016 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 134.41 -171.05 22.4 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.96 -48.3 54.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 0.769 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.462 ' OD1' ' N ' ' A' ' 26' ' ' ASP . 4.5 p-10 -65.11 -22.41 66.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.427 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 7.4 m-85 -87.0 -21.62 26.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.427 ' CB ' ' O ' ' A' ' 27' ' ' PHE . 2.7 t30 77.3 28.42 0.61 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.475 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 3.5 ptm -151.91 165.01 18.38 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.541 1.15 . . . . 0.0 111.013 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 153.69 42.29 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.501 1.79 . . . . 0.0 110.98 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.1 mt -75.62 106.38 7.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.431 HG22 ' O ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -112.67 169.02 9.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 110.412 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.478 HD13 ' CD2' ' A' ' 21' ' ' LEU . 48.6 mm -78.35 100.56 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -47.41 -62.02 1.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.989 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.19 175.11 12.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.997 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.794 HD12 ' HB3' ' A' ' 43' ' ' SER . 0.2 OUTLIER -120.65 167.83 12.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -113.7 139.03 49.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -52.33 120.09 5.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 43.96 52.95 6.63 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.515 1.135 . . . . 0.0 110.982 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -103.89 163.57 15.27 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.88 -57.14 3.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 0.764 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.473 ' CB ' ' HB3' ' A' ' 19' ' ' PHE . . . -43.25 -67.3 0.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.794 ' HB3' HD12 ' A' ' 36' ' ' LEU . 26.8 p -47.55 -48.04 27.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 110.027 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -58.3 -23.73 57.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.099 . . . . 0.0 110.329 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.455 ' HB1' HG21 ' A' ' 9' ' ' VAL . . . -95.14 26.46 3.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.575 1.172 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.417 ' HA ' ' NH2' ' A' ' 48' ' ' ARG . 20.7 m-70 48.31 52.03 14.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.635 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 60.1 t -107.31 98.16 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.417 ' NH2' ' HA ' ' A' ' 46' ' ' HIS . 9.0 mmp_? -86.78 166.06 15.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.115 . . . . 0.0 110.279 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.1 mt -76.92 133.84 30.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 114.86 -13.52 19.95 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.526 1.141 . . . . 0.0 110.998 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.547 ' CG ' HD22 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -56.55 149.14 17.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 0.792 . . . . 0.0 109.312 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.43 ' N ' ' OD1' ' A' ' 51' ' ' ASP . 71.6 t -117.66 115.03 47.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.501 ' CG1' ' O ' ' A' ' 55' ' ' SER . 87.8 t -71.57 100.32 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.402 HD11 ' HB2' ' A' ' 85' ' ' GLN . 82.7 mt -68.29 -40.64 81.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.35 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.501 ' O ' ' CG1' ' A' ' 53' ' ' VAL . 31.9 p -134.28 168.63 18.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.964 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.494 ' CD1' ' HB1' ' A' ' 69' ' ' ALA . 46.3 mt -142.32 99.21 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 109.249 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 81' ' ' ASN . 29.3 t0 65.13 46.53 2.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.9 18.66 74.56 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.561 1.163 . . . . 0.0 110.973 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.6 mm -114.94 142.83 26.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.525 0.779 . . . . 0.0 109.343 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.08 117.75 14.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.115 . . . . 0.0 110.014 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -94.59 31.61 1.75 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -83.61 -57.66 3.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.314 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -105.93 55.31 0.55 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.537 1.148 . . . . 0.0 110.978 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 16.8 mtm -133.05 136.49 45.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 0.747 . . . . 0.0 110.951 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 34.3 p -84.28 160.26 20.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 110.407 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.408 ' CE1' ' O ' ' A' ' 21' ' ' LEU . 3.5 t-160 -44.91 -53.5 7.52 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 109.599 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 15.3 tp -52.89 -59.64 4.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 0.0 109.338 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -47.47 -59.71 3.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.283 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.494 ' HB1' ' CD1' ' A' ' 56' ' ' ILE . . . -51.0 -48.97 61.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.259 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -56.19 -44.45 79.43 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.562 1.163 . . . . 0.0 110.28 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -49.54 -54.39 18.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.407 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 32.1 mmtm -51.61 -58.16 7.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.586 1.179 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.42 ' HA ' HD11 ' A' ' 80' ' ' LEU . 7.1 mt -47.69 -40.68 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.1 mttp -63.92 -40.8 97.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 72' ' ' LYS . . . -56.32 -39.28 72.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 0.0 109.274 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.6 m -66.0 110.15 2.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 108.311 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 10.2 t -106.48 -29.76 9.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.378 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -86.22 -69.38 1.33 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.0 p -139.54 163.65 31.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 0.767 . . . . 0.0 110.004 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.579 ' HB2' ' CH2' ' A' ' 17' ' ' TRP . 11.9 tp -111.62 124.73 52.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.407 ' O ' ' N ' ' A' ' 57' ' ' ASP . 0.8 OUTLIER -119.54 104.84 10.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.34 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 40.2 mtm -138.33 148.38 44.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.2 m -94.74 147.19 23.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.437 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.547 HD22 ' CG ' ' A' ' 51' ' ' ASP . 5.8 mt -118.0 163.8 16.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.402 ' HB2' HD11 ' A' ' 54' ' ' LEU . 19.3 tt0 -115.82 142.89 46.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.83 153.98 36.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -122.05 85.91 2.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.97 166.51 18.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.986 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . 61.97 163.65 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 62.91 124.68 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 62.36 76.35 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.74 167.19 21.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 63.1 p -103.35 134.11 47.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.016 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -100.91 149.4 36.17 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.271 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 165.32 31.59 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.546 1.814 . . . . 0.0 111.015 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 9.6 p -72.76 146.05 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.06 108.39 3.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.998 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.6 p -170.21 139.97 1.85 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.142 . . . . 0.0 110.014 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 158.75 179.49 33.64 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.503 1.127 . . . . 0.0 110.946 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 92.63 0.97 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.448 1.762 . . . . 0.0 110.991 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.9 p -113.45 128.81 56.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.979 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 30.9 t -99.65 101.33 12.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.017 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 -179.987 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.3 m 61.7 95.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 0.784 . . . . 0.0 110.018 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t -123.1 149.86 43.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.979 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.62 61.93 4.67 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.8 t -72.98 91.25 1.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 0.74 . . . . 0.0 109.976 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.2 t -122.23 -84.0 0.66 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.026 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.93 137.46 2.44 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.488 1.118 . . . . 0.0 110.962 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.6 p -92.27 159.86 15.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 0.781 . . . . 0.0 110.018 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.604 ' CG1' ' HB1' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -121.58 165.65 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.283 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 45.5 t -138.45 114.57 10.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.977 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 39.1 mt -110.82 150.32 29.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 72.3 t -118.09 106.97 20.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.346 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -175.4 156.19 21.64 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.558 1.161 . . . . 0.0 110.99 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.712 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.95 -5.81 17.28 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.488 1.783 . . . . 0.0 111.011 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.722 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . . . 161.67 -50.04 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.722 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -75.02 77.18 3.2 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.503 1.791 . . . . 0.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.614 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 2.3 m95 -71.08 -24.96 62.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 108.022 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.44 ' CA ' ' HB3' ' A' ' 37' ' ' LYS . . . 106.36 28.43 5.18 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.491 1.119 . . . . 0.0 111.031 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.59 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 1.1 p90 -147.91 148.23 30.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.441 0.73 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -113.0 170.98 7.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.133 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.449 ' CD1' HD11 ' A' ' 73' ' ' ILE . 78.8 mt -130.37 155.21 46.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -154.27 151.96 29.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.257 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.499 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 94.61 -157.48 22.4 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.487 1.117 . . . . 0.0 111.015 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 125.51 -170.45 17.41 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.5 mtmt -72.38 -49.27 35.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 0.79 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -64.46 -17.31 63.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -95.25 -15.68 23.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 0.0 111.001 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 70.82 41.46 0.87 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.256 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.499 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 3.5 ptm -164.36 165.75 12.52 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.107 . . . . 0.0 111.024 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 154.55 42.42 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.497 1.788 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.6 mt -75.19 116.14 15.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -123.76 166.24 15.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.387 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.476 HG21 ' CD2' ' A' ' 36' ' ' LEU . 19.7 mm -78.46 103.87 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.15 -63.43 1.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 110.01 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -150.63 176.32 11.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.0 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.535 HD11 ' HB3' ' A' ' 42' ' ' ALA . 0.5 OUTLIER -124.01 163.09 22.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.312 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.44 ' HB3' ' CA ' ' A' ' 18' ' ' GLY . 18.3 tttt -111.38 141.58 44.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -55.75 123.24 13.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 52.04 50.99 42.97 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -102.79 159.03 17.65 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.82 -52.89 36.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 0.785 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.535 ' HB3' HD11 ' A' ' 36' ' ' LEU . . . -46.68 -64.58 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.435 ' N ' HD11 ' A' ' 36' ' ' LEU . 1.7 t -47.84 -47.64 31.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.009 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -61.68 -22.14 65.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.276 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.604 ' HB1' ' CG1' ' A' ' 9' ' ' VAL . . . -92.85 21.2 5.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.421 ' HA ' ' NH2' ' A' ' 48' ' ' ARG . 12.8 m-70 54.31 50.35 16.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.62 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 39.8 t -108.27 98.63 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.421 ' NH2' ' HA ' ' A' ' 46' ' ' HIS . 8.9 mmp_? -87.72 165.59 15.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 22.6 mm -71.57 138.85 20.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.63 -14.11 56.43 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.45 1.094 . . . . 0.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -53.79 127.77 27.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 0.766 . . . . 0.0 109.26 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 73.9 t -94.96 125.63 47.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.464 ' CG1' HG13 ' A' ' 56' ' ' ILE . 26.9 t -83.47 114.08 23.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 22.6 mt -80.44 -34.03 36.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.3 p -145.9 163.44 35.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 110.034 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.636 ' CD1' ' HB1' ' A' ' 69' ' ' ALA . 19.1 mt -140.48 99.14 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 81' ' ' ASN . 2.8 t0 72.76 43.65 0.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.68 13.95 69.33 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.515 1.134 . . . . 0.0 110.95 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.464 HG13 ' CE ' ' A' ' 72' ' ' LYS . 2.7 mm -109.27 143.26 19.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.451 0.736 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.89 119.64 16.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 110.031 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -94.82 25.7 3.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -84.74 -59.52 2.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.253 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -98.68 48.82 1.33 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.497 1.123 . . . . 0.0 110.953 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 19.2 mtm -132.96 139.4 47.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 0.785 . . . . 0.0 111.041 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.0 p -77.61 171.57 14.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.397 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -57.5 -56.76 17.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.607 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 1.037 HD13 ' N ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -49.82 -49.0 50.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.342 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 1.037 ' N ' HD13 ' A' ' 67' ' ' LEU . 51.3 mm-40 -49.09 -65.14 0.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.332 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.636 ' HB1' ' CD1' ' A' ' 56' ' ' ILE . . . -46.17 -40.68 11.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.595 ' HA ' HD12 ' A' ' 73' ' ' ILE . 2.6 mt-30 -67.55 -38.77 84.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 110.317 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.545 ' OD1' HD21 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -58.7 -48.24 81.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.267 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.688 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 29.4 mmtm -54.48 -48.3 71.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.595 HD12 ' HA ' ' A' ' 70' ' ' GLN . 6.6 mt -50.48 -47.97 26.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.5 -23.89 66.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.359 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.688 ' HB3' ' O ' ' A' ' 72' ' ' LYS . . . -69.23 -19.08 63.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 14.9 p -41.98 135.59 2.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 108.312 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.621 HG23 ' O ' ' A' ' 77' ' ' THR . 12.5 t -127.35 48.28 2.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 110.424 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 136.03 -54.02 0.74 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.517 1.136 . . . . 0.0 111.03 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -140.46 162.93 34.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.769 . . . . 0.0 110.02 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.583 ' HB2' ' CH2' ' A' ' 17' ' ' TRP . 11.1 tp -108.8 144.82 36.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.427 ' O ' ' N ' ' A' ' 57' ' ' ASP . 0.6 OUTLIER -135.3 104.9 6.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.507 ' O ' HG23 ' A' ' 9' ' ' VAL . 21.3 mtm -136.36 155.48 50.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 111.029 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.1 m -103.77 142.75 33.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.426 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 43.3 mt -114.74 152.52 31.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -95.08 118.6 32.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.258 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.53 152.09 36.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.279 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -171.09 94.1 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.3 p -46.27 169.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.007 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -111.86 149.43 31.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -115.17 101.41 8.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -140.62 143.86 35.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.77 57.42 1.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.36 131.7 38.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.99 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -96.64 147.23 32.62 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 149.7 36.94 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.503 1.791 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 10.8 p -129.96 133.15 64.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 47.5 t -110.99 146.86 35.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.023 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.9 p -172.33 140.71 1.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.979 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 152.9 119.7 0.79 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.48 1.113 . . . . 0.0 110.972 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 117.55 4.93 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.529 1.805 . . . . 0.0 111.006 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.2 m -93.9 127.93 39.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.995 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.96 114.23 16.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.038 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.474 1.109 . . . . 0.0 110.964 -179.983 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.0 p -161.89 120.03 2.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 0.745 . . . . 0.0 109.987 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.7 m -42.36 -54.96 3.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.014 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.59 70.72 0.04 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.52 1.137 . . . . 0.0 111.006 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.1 m 49.61 95.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 0.783 . . . . 0.0 110.015 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.4 p 53.79 172.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.127 . . . . 0.0 109.98 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.07 128.88 1.93 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.514 1.134 . . . . 0.0 110.963 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.7 m -90.48 169.21 11.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 0.752 . . . . 0.0 110.017 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.474 HG22 ' N ' ' A' ' 10' ' ' SER . 1.7 p -142.58 165.22 16.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.474 ' N ' HG22 ' A' ' 9' ' ' VAL . 36.8 t -136.06 129.37 31.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.962 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.483 HD13 ' HB3' ' A' ' 17' ' ' TRP . 30.0 mt -116.22 147.24 41.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.2 p -118.61 106.39 19.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.265 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -174.62 156.38 22.88 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.477 1.111 . . . . 0.0 111.015 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.715 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 18.1 Cg_endo -74.99 -4.45 15.43 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.475 1.776 . . . . 0.0 110.99 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.722 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . . . 161.78 -50.07 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.722 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.94 78.51 2.86 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.463 1.77 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.587 ' CZ2' ' HB2' ' A' ' 80' ' ' LEU . 2.8 m95 -71.5 -25.7 62.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 108.013 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.474 ' CA ' ' HB3' ' A' ' 37' ' ' LYS . . . 103.57 30.87 5.1 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.524 1.14 . . . . 0.0 110.99 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.61 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 0.7 OUTLIER -150.2 141.97 23.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 0.779 . . . . 0.0 110.984 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.58 171.0 7.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.45 ' CD2' HD13 ' A' ' 33' ' ' ILE . 40.6 mt -131.54 157.13 44.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -160.67 142.67 12.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.475 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 107.01 -156.76 15.87 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.532 1.145 . . . . 0.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 119.34 -162.44 13.69 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.617 ' HB3' HG22 ' A' ' 65' ' ' THR . 3.2 ttmm -76.04 -49.45 17.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 0.762 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -60.33 -20.33 58.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -100.98 -6.33 24.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 59.92 47.34 10.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.475 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 3.5 ptm -165.97 165.57 10.57 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 110.992 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 154.64 42.61 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.525 1.803 . . . . 0.0 110.996 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.598 HD21 ' HA ' ' A' ' 66' ' ' HIS . 3.7 mt -74.99 115.44 14.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -122.91 167.25 13.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.373 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.45 HD13 ' CD2' ' A' ' 21' ' ' LEU . 50.3 mm -78.38 103.63 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.16 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -47.62 -54.41 11.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.001 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -159.89 175.95 12.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.997 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.861 HD12 ' HB2' ' A' ' 43' ' ' SER . 0.3 OUTLIER -117.3 167.91 10.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.26 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.474 ' HB3' ' CA ' ' A' ' 18' ' ' GLY . 35.3 tttt -117.32 129.78 56.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -41.85 127.58 3.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 38.72 56.4 2.07 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -104.86 160.45 15.38 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.12 -52.35 26.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 0.742 . . . . 0.0 109.286 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.477 ' CB ' ' HB3' ' A' ' 19' ' ' PHE . . . -45.71 -66.43 0.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.861 ' HB2' HD12 ' A' ' 36' ' ' LEU . 12.7 t -47.44 -46.54 26.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.021 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -55.39 -25.45 35.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.323 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 42' ' ' ALA . . . -88.04 11.24 16.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 13.4 m170 64.4 37.98 7.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.577 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.461 HG22 HD11 ' A' ' 84' ' ' LEU . 97.3 t -93.16 114.75 30.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.1 mtm180 -99.43 163.93 12.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 110.337 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.3 mt -69.61 135.91 27.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 105.54 -12.5 47.05 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.535 1.147 . . . . 0.0 110.966 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.424 ' OD2' HD13 ' A' ' 84' ' ' LEU . 34.6 m-20 -55.17 131.43 45.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 0.754 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 79.1 t -97.74 125.79 50.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.478 ' CG1' ' O ' ' A' ' 55' ' ' SER . 71.8 t -80.48 106.38 11.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.44 HD21 ' HB2' ' A' ' 85' ' ' GLN . 54.8 mt -72.38 -38.3 68.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.082 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.478 ' O ' ' CG1' ' A' ' 53' ' ' VAL . 9.4 p -141.29 170.9 14.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.999 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.563 HG22 ' HB3' ' A' ' 72' ' ' LYS . 90.3 mt -144.45 94.17 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.095 . . . . 0.0 109.338 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 75.26 42.06 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 72.89 9.31 75.29 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.3 mm -102.05 141.45 18.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 0.75 . . . . 0.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.02 119.48 14.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.027 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -93.99 24.86 3.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -90.94 82.7 5.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.339 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 131.12 -46.36 1.08 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.522 1.139 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 44.3 mtm -47.03 123.36 5.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 0.753 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.617 HG22 ' HB3' ' A' ' 25' ' ' LYS . 16.1 p -76.23 171.36 14.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 110.387 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.598 ' HA ' HD21 ' A' ' 31' ' ' LEU . 2.4 t-160 -39.95 -59.29 1.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.621 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.966 HD13 ' N ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -48.68 -61.5 2.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.966 ' N ' HD13 ' A' ' 67' ' ' LEU . 2.5 mt-10 -42.19 -53.5 4.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.118 . . . . 0.0 110.279 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.1 -47.28 85.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.441 1.088 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -58.91 -43.57 91.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.271 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.609 ' OD1' HD21 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -57.15 -46.81 82.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.72 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 14.5 mmmt -53.79 -56.6 16.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.547 HG12 HD21 ' A' ' 80' ' ' LEU . 5.0 mt -46.12 -53.49 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.25 -32.52 16.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.72 ' HB3' ' O ' ' A' ' 72' ' ' LYS . . . -58.08 -22.07 48.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.404 ' C ' ' O ' ' A' ' 75' ' ' ALA . 17.1 p -41.53 137.64 1.51 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 108.284 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 10.1 t -133.02 23.94 4.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.378 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 163.91 -53.28 0.29 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.482 1.114 . . . . 0.0 110.983 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.1 p -141.7 164.47 30.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 0.727 . . . . 0.0 110.042 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.587 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 13.7 tp -117.47 128.17 54.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.402 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.9 OUTLIER -122.18 105.14 9.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.567 ' SD ' HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -128.11 165.69 19.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.2 m -114.45 146.95 40.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.394 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.461 HD11 HG22 ' A' ' 47' ' ' VAL . 39.1 mt -116.38 163.48 15.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.44 ' HB2' HD21 ' A' ' 54' ' ' LEU . 33.9 tt0 -110.82 123.68 50.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -79.06 119.78 22.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.332 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -136.08 78.56 1.72 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -148.39 170.89 16.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 110.048 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . 63.51 127.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -131.6 165.58 23.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.13 . . . . 0.0 109.329 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 54.52 95.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -47.79 150.42 1.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.4 t -111.61 108.95 18.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.983 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.0 151.39 37.49 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.227 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 146.06 32.0 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.482 1.78 . . . . 0.0 110.978 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 11.4 p -84.43 147.64 5.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.155 . . . . 0.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -104.21 127.65 51.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.979 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.51 106.97 0.66 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.107 . . . . 0.0 109.993 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 116.15 -159.41 13.89 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.496 1.122 . . . . 0.0 111.021 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 155.34 42.77 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.475 1.777 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -107.75 131.18 54.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.006 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 9.4 m -113.17 136.74 52.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.014 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.478 1.111 . . . . 0.0 110.967 179.992 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.3 m -64.0 150.95 44.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 0.774 . . . . 0.0 110.008 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -105.24 -64.38 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.06 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.57 147.39 11.65 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -109.19 118.82 37.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 0.767 . . . . 0.0 109.965 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.2 p -177.82 173.69 1.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.995 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.32 144.21 3.99 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.469 1.105 . . . . 0.0 111.036 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.3 t -99.55 161.69 13.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 0.741 . . . . 0.0 109.964 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.505 HG22 ' N ' ' A' ' 10' ' ' SER . 2.4 p -129.73 166.34 27.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.505 ' N ' HG22 ' A' ' 9' ' ' VAL . 42.8 t -138.24 119.06 14.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.997 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 20.7 mt -108.68 149.41 29.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.426 ' O ' HG13 ' A' ' 12' ' ' VAL . 7.6 p -116.65 106.21 19.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -176.68 155.59 18.9 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.524 1.14 . . . . 0.0 111.021 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.713 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -74.97 -6.0 17.51 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.524 1.802 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.713 ' HB2' ' O ' ' A' ' 14' ' ' PRO . . . 161.37 -49.71 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.71 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.96 76.63 3.33 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.491 1.785 . . . . 0.0 111.008 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.625 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 2.6 m95 -70.86 -24.36 62.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 107.986 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.642 ' O ' HD13 ' A' ' 36' ' ' LEU . . . 105.02 24.75 7.09 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.44 1.088 . . . . 0.0 111.026 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.589 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 1.0 OUTLIER -144.76 153.07 41.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 0.745 . . . . 0.0 111.03 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -117.67 175.62 5.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.264 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.413 ' O ' ' CE1' ' A' ' 66' ' ' HIS . 50.5 mt -136.53 147.51 47.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -143.5 148.64 36.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.247 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.479 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 105.64 -161.34 14.58 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 28' ' ' ASN . . . 127.36 166.31 12.08 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.64 -42.29 64.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 0.784 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -64.48 -31.46 72.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.313 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -86.72 -17.73 32.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 111.0 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 24' ' ' GLY . 4.9 t-20 73.12 42.48 0.44 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.479 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 4.1 ptm -161.29 164.77 18.01 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 156.37 42.95 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.517 1.799 . . . . 0.0 111.013 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.401 ' O ' ' HA ' ' A' ' 52' ' ' VAL . 4.1 mt -75.38 111.05 10.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -117.51 168.73 10.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.397 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.631 HG21 ' CD2' ' A' ' 36' ' ' LEU . 19.7 mm -78.41 102.26 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.244 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.47 -59.99 3.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.992 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -151.82 176.68 11.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 110.017 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.957 HD11 ' HB3' ' A' ' 42' ' ' ALA . 0.2 OUTLIER -133.87 147.89 51.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 109.344 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.93 133.3 35.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -44.43 119.01 1.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 58.79 43.4 96.54 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.525 1.14 . . . . 0.0 110.965 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -91.17 159.05 26.1 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 45' ' ' ALA . 0.1 OUTLIER -46.69 -64.84 0.67 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 0.776 . . . . 0.0 109.271 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.957 ' HB3' HD11 ' A' ' 36' ' ' LEU . . . -42.9 -49.34 5.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.5 t -55.59 -39.92 71.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.994 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 41' ' ' LYS . 0.5 OUTLIER -82.67 -14.26 54.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.261 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.478 ' HB1' HG21 ' A' ' 9' ' ' VAL . . . -88.13 12.91 12.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 29.4 m-70 66.6 34.08 6.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.589 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 96.2 t -96.65 110.33 24.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.7 mtm180 -101.53 133.86 45.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.325 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.1 mt -42.16 134.61 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 108.14 -15.05 36.69 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.48 1.113 . . . . 0.0 110.993 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -56.81 127.77 33.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.769 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.401 ' HA ' ' O ' ' A' ' 31' ' ' LEU . 72.5 t -93.24 133.18 35.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.415 HG11 ' CG1' ' A' ' 56' ' ' ILE . 22.6 t -86.01 102.21 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.092 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.538 HD21 ' HB2' ' A' ' 85' ' ' GLN . 41.5 mt -69.23 -41.22 77.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 2.2 p -139.22 166.35 24.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 110.003 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.505 HG22 ' HB3' ' A' ' 72' ' ' LYS . 74.2 mt -140.44 109.9 3.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 81' ' ' ASN . 1.1 t70 62.38 35.56 14.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 0.0 109.299 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 79.28 15.19 80.6 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.444 1.09 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.407 ' O ' ' HA ' ' A' ' 55' ' ' SER . 2.4 mm -108.97 139.52 31.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.476 0.75 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.04 124.12 22.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.979 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -97.87 29.11 3.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.341 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.88 43.44 1.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 110.28 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 157.53 44.67 0.02 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.482 1.113 . . . . 0.0 110.981 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 23.1 mtm -133.63 133.55 42.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 0.781 . . . . 0.0 111.034 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 55.5 p -79.41 161.02 26.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 110.394 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.413 ' CE1' ' O ' ' A' ' 21' ' ' LEU . 1.8 t-160 -46.96 -58.61 3.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.586 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 11.0 tp -46.72 -53.97 10.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.337 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -55.83 -58.4 8.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.283 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.436 ' O ' HD12 ' A' ' 73' ' ' ILE . . . -50.9 -48.55 60.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.165 . . . . 0.0 109.319 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -55.91 -43.99 77.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.274 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.72 -50.41 72.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.619 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 22.4 mmtm -46.58 -59.29 3.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.595 ' HA ' HD11 ' A' ' 80' ' ' LEU . 3.0 mt -42.85 -50.32 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.449 1.093 . . . . 0.0 109.353 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.413 ' C ' ' N ' ' A' ' 76' ' ' CYS . 0.0 OUTLIER -50.09 -41.64 48.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.619 ' HB3' ' O ' ' A' ' 72' ' ' LYS . . . -44.92 -26.53 0.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.433 ' HB3' HD13 ' A' ' 80' ' ' LEU . 21.2 p -41.26 123.03 1.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 108.251 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 7.2 t -105.91 -13.92 15.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.432 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -161.45 -49.59 0.02 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.553 1.158 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.3 p -137.45 161.73 35.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 0.744 . . . . 0.0 109.963 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.595 HD11 ' HA ' ' A' ' 73' ' ' ILE . 10.0 tp -105.87 137.87 43.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 57' ' ' ASP . 0.6 OUTLIER -129.91 104.64 7.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 33.5 mtm -140.71 147.09 38.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.157 . . . . 0.0 111.009 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.401 ' O ' HD23 ' A' ' 84' ' ' LEU . 7.0 m -93.95 149.62 21.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.403 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.401 HD23 ' O ' ' A' ' 83' ' ' THR . 48.1 mt -117.63 163.38 16.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.538 ' HB2' HD21 ' A' ' 54' ' ' LEU . 27.0 tt0 -112.39 150.58 30.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -86.51 153.68 21.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -159.44 80.44 0.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.74 88.7 2.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.138 . . . . 0.0 110.0 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -173.52 94.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.331 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -174.51 124.33 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 109.308 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 65.41 -169.3 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.404 ' CD ' ' N ' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -141.68 134.32 28.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -126.29 143.36 51.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.948 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -115.53 153.47 47.75 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 108.9 2.82 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.489 1.783 . . . . 0.0 110.969 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.414 HG22 ' H ' ' A' ' 96' ' ' VAL . 11.9 m -74.05 106.23 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.43 102.2 7.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.459 1.1 . . . . 0.0 110.018 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.9 t -166.97 108.1 0.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.002 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -141.09 157.29 25.95 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.517 1.135 . . . . 0.0 110.976 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 178.76 6.84 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.463 1.77 . . . . 0.0 111.006 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -87.94 150.4 23.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.046 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -94.51 113.96 25.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.056 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.49 1.119 . . . . 0.0 111.034 -179.982 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 43.8 t -93.57 162.92 13.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 0.742 . . . . 0.0 110.017 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.455 ' CG2' ' N ' ' A' ' 10' ' ' SER . 0.8 OUTLIER -138.5 162.66 29.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.455 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 39.4 t -131.94 136.42 47.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.017 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.481 ' HB2' ' CE3' ' A' ' 17' ' ' TRP . 7.0 mt -120.3 153.38 36.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.444 ' O ' HG13 ' A' ' 12' ' ' VAL . 7.4 p -117.56 106.61 20.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -178.05 153.56 13.31 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.462 1.101 . . . . 0.0 110.981 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.709 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 18.1 Cg_endo -75.01 -6.19 17.73 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.491 1.785 . . . . 0.0 110.997 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.72 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . . . 161.94 -50.36 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.72 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.01 77.41 3.14 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.538 1.81 . . . . 0.0 110.975 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.63 ' CZ2' HD13 ' A' ' 80' ' ' LEU . 1.8 m95 -71.02 -24.04 62.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 108.021 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.58 -16.07 24.16 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.522 1.138 . . . . 0.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.521 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 1.2 p90 -105.28 156.81 17.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 0.779 . . . . 0.0 111.01 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.437 ' O ' HD23 ' A' ' 21' ' ' LEU . 4.8 mmt180 -122.29 174.09 7.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.293 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.667 HD11 HD11 ' A' ' 73' ' ' ILE . 15.2 mt -122.64 145.92 47.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -146.1 136.88 24.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.486 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 106.61 -158.32 15.37 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.526 1.141 . . . . 0.0 110.999 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 124.99 174.81 14.06 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.1 -44.43 96.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 0.742 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -63.75 -22.96 67.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.464 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 11.2 m-85 -92.73 -20.29 20.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.998 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.464 ' CB ' ' O ' ' A' ' 27' ' ' PHE . 9.6 t-20 80.46 33.12 0.16 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.486 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 4.1 ptm -156.4 164.76 20.39 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 111.004 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 156.78 42.9 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.499 1.789 . . . . 0.0 110.983 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.4 mt -75.25 115.75 15.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -123.88 170.44 10.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 110.399 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 21.2 mm -78.58 100.92 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.5 t -53.16 -67.15 0.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.015 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.425 ' HA ' HD11 ' A' ' 49' ' ' ILE . 0.6 OUTLIER -145.09 177.59 8.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.992 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.917 HD21 ' HB3' ' A' ' 42' ' ' ALA . 0.3 OUTLIER -148.28 161.17 42.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.2 tttp -95.71 159.51 14.95 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -55.01 119.67 5.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 40.47 53.59 3.49 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.501 1.126 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -89.25 175.2 42.65 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.9 -64.03 0.79 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 0.752 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.917 ' HB3' HD21 ' A' ' 36' ' ' LEU . . . -45.29 -46.38 12.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 18.3 t -62.85 -41.04 99.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.975 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -64.06 -22.27 66.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 110.293 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -93.77 10.78 31.63 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 9.8 m170 62.01 51.44 3.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.436 1.085 . . . . 0.0 109.589 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.61 HG13 ' OD2' ' A' ' 51' ' ' ASP . 76.7 t -105.77 117.95 52.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 -102.43 157.86 16.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.305 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.425 HD11 ' HA ' ' A' ' 35' ' ' SER . 2.2 mt -65.21 130.21 30.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 116.41 -15.85 14.92 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.543 1.152 . . . . 0.0 110.953 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.61 ' OD2' HG13 ' A' ' 47' ' ' VAL . 93.2 m-20 -57.99 129.13 40.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 0.773 . . . . 0.0 109.271 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 71.1 t -95.62 131.54 42.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.449 HG11 ' CG1' ' A' ' 56' ' ' ILE . 37.1 t -85.62 107.71 16.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 52.8 mt -74.17 -31.77 62.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.437 ' O ' ' CG1' ' A' ' 53' ' ' VAL . 1.8 p -146.03 158.6 43.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.039 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.757 ' CD1' ' HB1' ' A' ' 69' ' ' ALA . 11.5 mt -133.91 106.15 8.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.165 . . . . 0.0 109.297 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 81' ' ' ASN . 24.4 t0 68.04 37.01 3.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.122 . . . . 0.0 109.344 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 80.61 -2.12 79.91 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.545 1.153 . . . . 0.0 111.058 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.5 mm -94.72 152.43 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.518 0.775 . . . . 0.0 109.346 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.36 121.64 25.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.999 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -98.81 36.52 1.66 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -87.68 -51.49 5.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.335 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -109.03 47.84 1.0 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.552 1.157 . . . . 0.0 110.978 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 14.0 mtm -128.46 130.94 48.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 0.766 . . . . 0.0 111.001 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.3 p -73.63 171.38 13.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 110.409 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -53.69 -53.38 52.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.647 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 1.01 HD13 ' N ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -53.08 -48.02 68.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 1.01 ' N ' HD13 ' A' ' 67' ' ' LEU . 0.9 OUTLIER -49.81 -68.37 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 110.291 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.757 ' HB1' ' CD1' ' A' ' 56' ' ' ILE . . . -45.33 -38.36 5.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -68.15 -37.79 81.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 110.322 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.666 ' ND2' HD21 ' A' ' 67' ' ' LEU . 1.7 m-20 -59.9 -48.26 82.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.52 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 35.3 mmtt -58.96 -53.57 56.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.239 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.667 HD11 HD11 ' A' ' 21' ' ' LEU . 17.1 mt -48.86 -44.01 14.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.118 . . . . 0.0 109.286 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -63.22 -33.99 76.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' A' ' 72' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.6 p . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.63 HD13 ' CZ2' ' A' ' 17' ' ' TRP . 8.9 tp -113.41 118.94 35.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 57' ' ' ASP . 1.3 m-80 -110.04 104.89 13.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.469 ' HE1' ' CZ ' ' A' ' 19' ' ' PHE . 33.7 mtm -134.73 159.6 40.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 111.017 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.8 m -109.9 147.48 33.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 110.428 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 40.0 mt -113.43 166.17 11.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.086 . . . . 0.0 109.362 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -114.2 131.45 56.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.295 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.345 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 82.9 p -93.76 166.74 12.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 0.774 . . . . 0.0 109.993 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.411 ' CG2' ' N ' ' A' ' 10' ' ' SER . 0.5 OUTLIER -143.67 159.31 16.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.411 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 48.2 t -134.26 124.03 25.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 110.001 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 52.5 mt -110.52 148.96 31.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.9 p -115.75 106.57 20.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -174.99 156.59 22.88 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.529 1.143 . . . . 0.0 110.981 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.703 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -75.0 -6.03 17.55 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.463 1.77 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.735 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . . . 162.14 -50.38 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.735 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.99 78.35 2.91 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.519 1.8 . . . . 0.0 111.035 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.624 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 1.8 m95 -72.38 -25.05 61.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 107.989 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.468 ' CA ' ' HB3' ' A' ' 37' ' ' LYS . . . 106.85 27.28 5.48 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.596 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 0.9 OUTLIER -147.67 150.48 34.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 110.959 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.402 ' CB ' ' OG ' ' A' ' 34' ' ' SER . 5.2 mtt180 -116.91 171.72 7.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.309 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.449 ' O ' ' CE1' ' A' ' 66' ' ' HIS . 80.8 mt -130.19 153.75 48.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.553 1.158 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -154.56 144.05 21.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.28 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.473 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 107.2 -160.27 14.22 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.52 1.138 . . . . 0.0 110.951 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 127.49 -179.37 16.47 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.9 ttpp -70.77 -27.57 64.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 0.768 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -76.0 -24.33 55.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.437 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 9.8 m-85 -97.43 -17.61 19.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.972 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.437 ' CB ' ' O ' ' A' ' 27' ' ' PHE . 2.4 t-20 77.12 44.57 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.473 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 4.1 ptm -162.9 164.48 16.22 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 111.043 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 156.64 43.03 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.45 1.763 . . . . 0.0 111.035 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 mt -75.5 110.25 9.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -116.23 168.01 10.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.393 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.456 HG21 HD23 ' A' ' 36' ' ' LEU . 24.8 mm -78.56 99.25 2.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.417 ' HB3' ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -43.95 -56.51 3.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 109.99 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.08 177.12 11.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 110.069 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.755 HD12 ' HB3' ' A' ' 43' ' ' SER . 0.2 OUTLIER -121.67 167.72 12.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.25 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.468 ' HB3' ' CA ' ' A' ' 18' ' ' GLY . 8.7 tttp -116.01 137.76 51.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.13 126.13 13.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 42.0 56.64 3.78 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.536 1.147 . . . . 0.0 111.009 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -105.95 161.61 14.32 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.52 -48.8 56.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 0.785 . . . . 0.0 109.35 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.465 ' CB ' ' HB3' ' A' ' 19' ' ' PHE . . . -48.99 -65.46 0.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.755 ' HB3' HD12 ' A' ' 36' ' ' LEU . 14.2 p -47.04 -47.21 22.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.008 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -55.45 -27.28 47.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 110.299 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 42' ' ' ALA . . . -87.48 11.05 15.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 63.78 43.18 5.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.571 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.412 HG23 ' HB3' ' A' ' 45' ' ' ALA . 61.1 t -96.57 113.93 32.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.3 mtm180 -102.59 164.42 11.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.2 mt -70.69 134.56 29.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.333 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 108.15 -17.09 35.11 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -54.43 127.72 28.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 0.768 . . . . 0.0 109.335 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 73.3 t -94.7 132.97 37.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.573 1.171 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.499 HG11 ' CG1' ' A' ' 56' ' ' ILE . 47.1 t -87.82 108.16 18.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.253 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.539 HD21 ' HB2' ' A' ' 85' ' ' GLN . 20.4 mt -73.79 -36.44 65.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.449 ' O ' ' CG1' ' A' ' 53' ' ' VAL . 4.8 p -143.85 167.89 21.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.025 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.561 ' CD1' ' HB1' ' A' ' 69' ' ' ALA . 54.4 mt -143.06 96.27 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 81' ' ' ASN . 11.1 t0 71.31 44.51 0.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 73.75 1.93 59.77 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.451 1.094 . . . . 0.0 111.002 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.569 HG21 ' HE2' ' A' ' 72' ' ' LYS . 16.8 mm -92.87 140.44 16.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 0.756 . . . . 0.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.27 117.34 14.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.992 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -92.67 31.13 1.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -93.5 92.11 7.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 110.278 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 92.54 39.09 5.4 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -110.06 136.04 49.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 0.764 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.1 p -75.65 156.65 34.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.413 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.449 ' CE1' ' O ' ' A' ' 21' ' ' LEU . 2.0 t-160 -50.13 -51.66 41.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.619 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.4 tp -50.97 -53.14 35.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -49.22 -70.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 110.315 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.561 ' HB1' ' CD1' ' A' ' 56' ' ' ILE . . . -43.32 -49.71 6.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.444 ' HA ' HD12 ' A' ' 73' ' ' ILE . 14.4 mm100 -54.44 -44.97 72.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -53.58 -47.0 70.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.097 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.569 ' HE2' HG21 ' A' ' 59' ' ' ILE . 40.0 mmtm -56.55 -44.95 81.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.597 HG12 HD21 ' A' ' 80' ' ' LEU . 4.8 mt -59.56 -29.21 41.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.1 mttp -79.23 -15.38 58.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.325 -179.984 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.0 p . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.597 HD21 HG12 ' A' ' 73' ' ' ILE . 11.0 tp -116.03 116.37 27.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.098 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.406 ' O ' ' N ' ' A' ' 57' ' ' ASP . 1.2 m-80 -109.9 104.71 13.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 41.2 mtm -133.32 162.18 32.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.8 m -112.57 146.22 38.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.43 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 28.7 mt -113.37 166.91 11.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.539 ' HB2' HD21 ' A' ' 54' ' ' LEU . 0.3 OUTLIER -116.22 139.64 50.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 110.266 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.427 ' N ' ' HG2' ' A' ' 85' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 110.276 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.0 m -90.29 156.35 18.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 0.765 . . . . 0.0 109.977 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.543 ' CG2' ' HB1' ' A' ' 45' ' ' ALA . 1.7 p -130.85 165.63 30.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.482 ' N ' HG22 ' A' ' 9' ' ' VAL . 46.5 t -138.03 122.41 18.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.997 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.444 HD12 ' HE2' ' A' ' 19' ' ' PHE . 32.1 mt -111.27 150.29 29.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 76.7 t -117.31 106.86 20.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -175.3 154.83 18.94 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.507 1.13 . . . . 0.0 110.996 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.719 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 18.0 Cg_endo -75.08 -5.27 16.55 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.464 1.771 . . . . 0.0 110.974 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.73 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . . . 161.52 -50.19 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.73 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -74.99 76.88 3.27 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.52 1.8 . . . . 0.0 110.961 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.606 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 2.7 m95 -70.59 -24.83 62.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 108.018 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.445 ' CA ' ' HB3' ' A' ' 37' ' ' LYS . . . 103.93 30.15 5.25 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.512 1.132 . . . . 0.0 111.002 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.58 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 1.2 p90 -151.69 149.76 29.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 0.756 . . . . 0.0 111.048 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.42 ' O ' HD23 ' A' ' 21' ' ' LEU . 6.4 mmt85 -112.09 175.37 5.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.516 ' O ' ' CE1' ' A' ' 66' ' ' HIS . 64.3 mt -137.38 145.25 43.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.0 pt20 -146.01 150.91 36.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.331 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.473 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 101.61 -159.86 18.29 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 122.34 -175.97 16.44 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.69 -44.68 89.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 0.782 . . . . 0.0 109.351 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -63.82 -24.31 67.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -96.33 -3.58 43.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.4 m120 61.81 36.08 16.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.324 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.473 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 3.6 ptm -157.0 164.17 22.6 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 156.53 43.28 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.454 1.765 . . . . 0.0 111.038 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 mt -75.32 114.99 14.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -123.24 168.4 12.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 110.439 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.61 HG21 ' CD2' ' A' ' 36' ' ' LEU . 50.1 mm -78.16 98.49 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.7 t -48.49 -62.37 1.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.994 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -145.59 173.66 11.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.997 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.839 HD12 ' HB2' ' A' ' 43' ' ' SER . 0.4 OUTLIER -121.28 168.35 11.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 109.263 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.445 ' HB3' ' CA ' ' A' ' 18' ' ' GLY . 13.9 tttp -116.65 137.66 52.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.36 125.13 13.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 43.88 53.69 6.25 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.565 1.165 . . . . 0.0 110.993 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -104.89 153.7 17.36 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -42.92 -57.27 2.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 0.78 . . . . 0.0 109.258 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.529 ' HB2' ' HD2' ' A' ' 19' ' ' PHE . . . -42.42 -68.01 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.346 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.839 ' HB2' HD12 ' A' ' 36' ' ' LEU . 1.9 t -47.94 -48.65 31.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.0 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -61.48 -20.86 63.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.323 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.543 ' HB1' ' CG2' ' A' ' 9' ' ' VAL . . . -94.2 20.76 7.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.411 ' HA ' ' NH2' ' A' ' 48' ' ' ARG . 21.7 m-70 58.35 50.66 9.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.102 . . . . 0.0 109.556 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.454 HG12 HD21 ' A' ' 36' ' ' LEU . 36.3 t -108.41 99.18 8.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.457 ' NH2' ' O ' ' A' ' 43' ' ' SER . 8.9 mmp_? -89.73 166.85 13.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.305 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.2 mt -75.23 134.85 28.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 106.1 -14.47 44.33 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.458 1.099 . . . . 0.0 110.99 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -56.21 123.99 16.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 0.771 . . . . 0.0 109.274 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 79.7 t -90.29 135.17 27.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.276 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.445 HG11 ' CG1' ' A' ' 56' ' ' ILE . 67.6 t -89.22 99.81 9.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.536 HD12 ' O ' ' A' ' 84' ' ' LEU . 23.4 mt -62.82 -47.09 84.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.8 p -137.31 173.79 11.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.019 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.445 ' CG1' HG11 ' A' ' 53' ' ' VAL . 91.8 mt -144.76 85.93 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 81' ' ' ASN . 11.8 t0 74.06 56.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.336 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 63.86 11.41 43.66 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.477 1.111 . . . . 0.0 111.026 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.4 mm -107.7 136.68 42.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 0.761 . . . . 0.0 109.26 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.39 127.48 32.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.019 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -103.24 25.91 8.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.345 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -83.06 -48.48 10.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.324 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -109.67 48.57 0.92 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.526 1.141 . . . . 0.0 111.016 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 10.9 mtm -130.97 134.99 47.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 0.749 . . . . 0.0 111.0 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 74.5 p -84.23 164.98 18.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.394 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.516 ' CE1' ' O ' ' A' ' 21' ' ' LEU . 2.0 t-160 -45.75 -52.05 11.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.638 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 21.3 tp -56.15 -52.98 62.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.137 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -50.59 -56.72 10.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.01 -49.11 76.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -56.11 -43.86 78.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 110.264 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -51.2 -52.86 40.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.544 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 0.8 OUTLIER -50.21 -62.1 1.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 4.2 mt -46.12 -52.61 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.326 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt -50.44 -37.57 38.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.544 ' HB3' ' O ' ' A' ' 72' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 109.327 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.58 ' HB2' ' CH2' ' A' ' 17' ' ' TRP . 23.3 tp -116.16 142.54 46.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 57' ' ' ASP . 0.6 OUTLIER -135.62 107.31 6.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.408 ' CE ' HD21 ' A' ' 80' ' ' LEU . 46.5 mtm -146.08 148.28 32.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.42 1.075 . . . . 0.0 111.039 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.1 m -95.67 147.18 23.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.447 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.536 ' O ' HD12 ' A' ' 54' ' ' LEU . 53.3 mt -115.89 165.68 12.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 109.35 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -115.28 125.84 53.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.271 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 110.329 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.3 p -96.09 154.56 17.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 0.792 . . . . 0.0 109.981 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.47 ' CG2' ' N ' ' A' ' 10' ' ' SER . 0.7 OUTLIER -122.47 162.78 21.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.47 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 47.6 t -132.94 116.03 15.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.014 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.407 ' HB2' ' CE3' ' A' ' 17' ' ' TRP . 12.1 mt -104.34 149.59 25.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.142 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.5 p -117.17 107.13 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -175.35 155.85 21.02 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.539 1.149 . . . . 0.0 110.984 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.712 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.01 -6.28 17.86 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.512 1.796 . . . . 0.0 110.986 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.73 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . . . 162.07 -50.29 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.73 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.99 76.22 3.46 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.566 1.824 . . . . 0.0 111.05 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.618 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 2.3 m95 -69.87 -25.38 63.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 108.06 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.473 ' CA ' ' HB3' ' A' ' 37' ' ' LYS . . . 106.08 27.96 5.43 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.596 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 1.1 p90 -147.93 145.32 28.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 0.793 . . . . 0.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.9 mmt180 -108.64 173.23 6.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.318 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.496 HD23 HD13 ' A' ' 33' ' ' ILE . 94.4 mt -131.41 157.17 44.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -157.66 149.69 22.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.467 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 99.74 -159.68 19.64 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 125.06 -168.24 17.2 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.611 ' HB3' HG22 ' A' ' 65' ' ' THR . 0.2 OUTLIER -70.75 -54.41 11.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 0.755 . . . . 0.0 109.324 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -59.53 -17.58 33.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -96.51 -16.03 21.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 67.65 41.44 2.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.467 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 3.8 ptm -161.86 165.14 16.68 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 156.65 42.8 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.505 1.792 . . . . 0.0 110.992 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.7 mt -75.16 117.54 17.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -125.84 167.76 14.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.403 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.496 HD13 HD23 ' A' ' 21' ' ' LEU . 37.6 mm -78.68 103.77 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.415 ' HB3' ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -47.65 -59.45 3.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.963 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.97 176.45 12.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.085 . . . . 0.0 110.05 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.819 HD12 ' HB3' ' A' ' 43' ' ' SER . 0.2 OUTLIER -120.45 153.0 37.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.473 ' HB3' ' CA ' ' A' ' 18' ' ' GLY . 0.0 OUTLIER -100.52 138.72 37.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -48.64 123.73 7.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 41.7 55.63 3.87 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.464 1.102 . . . . 0.0 111.04 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -103.37 163.04 15.7 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.67 -52.59 13.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 0.789 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.508 ' HB2' ' HB3' ' A' ' 19' ' ' PHE . . . -46.77 -64.0 0.88 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.819 ' HB3' HD12 ' A' ' 36' ' ' LEU . 83.3 p -47.26 -48.3 24.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.983 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -56.98 -24.07 50.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 110.286 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 42' ' ' ALA . . . -91.5 18.9 6.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 53.03 38.96 28.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.6 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 23.0 t -90.47 115.6 30.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 5.2 mtm180 -99.35 155.05 17.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 28.4 mm -63.57 141.53 18.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.137 . . . . 0.0 109.323 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 101.79 -13.14 57.87 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.506 1.129 . . . . 0.0 111.045 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -55.96 126.85 27.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 0.786 . . . . 0.0 109.277 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 71.1 t -93.96 133.59 34.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.474 ' CG1' ' O ' ' A' ' 55' ' ' SER . 64.4 t -87.44 103.8 13.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 61.7 mt -70.84 -40.97 72.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.322 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.474 ' O ' ' CG1' ' A' ' 53' ' ' VAL . 12.7 p -135.85 170.31 16.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.987 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.468 ' CG1' HG11 ' A' ' 53' ' ' VAL . 63.5 mt -145.36 120.62 3.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 81' ' ' ASN . 43.1 t0 59.3 27.54 16.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 83.13 7.86 86.35 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.495 1.122 . . . . 0.0 110.961 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.2 mt -106.01 154.82 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 0.789 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.8 t -68.83 123.82 22.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 110.003 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -106.58 34.05 3.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -99.83 81.16 2.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.326 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 135.54 -47.3 0.99 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.518 1.136 . . . . 0.0 111.037 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 30.8 mtm -39.58 127.96 1.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 0.747 . . . . 0.0 111.003 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.611 HG22 ' HB3' ' A' ' 25' ' ' LYS . 69.3 p -71.88 171.17 12.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.414 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -52.2 -59.78 3.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.556 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.9 tp -49.72 -54.95 15.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.25 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -50.28 -59.06 4.33 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 0.0 110.255 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.421 ' O ' HD12 ' A' ' 73' ' ' ILE . . . -51.66 -51.28 57.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.26 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -53.48 -44.64 69.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -50.8 -53.29 33.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.5 mmmm -51.25 -62.1 1.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.429 ' HA ' HD11 ' A' ' 80' ' ' LEU . 4.2 mt -47.36 -39.95 6.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.08 -42.7 91.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.262 -179.959 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.9 p . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.58 ' HB2' ' CH2' ' A' ' 17' ' ' TRP . 10.8 tp -122.08 119.04 30.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' A' ' 57' ' ' ASP . 1.2 m-80 -114.08 105.06 12.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.431 1.082 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 39.0 mtm -139.29 155.76 47.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 110.976 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.413 ' O ' HD23 ' A' ' 84' ' ' LEU . 16.6 m -102.7 150.67 23.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.427 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.413 HD23 ' O ' ' A' ' 83' ' ' THR . 58.4 mt -119.93 161.94 20.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -110.56 119.74 40.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 110.275 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 110.304 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.4 p -101.48 152.92 20.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 0.78 . . . . 0.0 110.028 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.474 ' CG2' ' N ' ' A' ' 10' ' ' SER . 1.7 p -122.41 165.26 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.474 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 41.6 t -131.25 124.89 31.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.004 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 15.9 mt -111.95 148.82 32.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.1 p -116.5 106.43 20.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -177.38 154.19 15.09 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.525 1.14 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.709 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.0 -5.5 16.87 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.522 1.801 . . . . 0.0 110.951 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.709 ' HB2' ' O ' ' A' ' 14' ' ' PRO . . . 161.51 -50.05 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.418 1.074 . . . . 0.0 109.355 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.707 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -75.0 77.72 3.06 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.524 1.802 . . . . 0.0 111.01 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.614 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 2.5 m95 -71.72 -24.22 61.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 108.002 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 108.7 -6.86 33.5 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.497 1.123 . . . . 0.0 111.028 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.583 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 1.4 p90 -109.37 151.6 26.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 0.794 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.457 ' CB ' ' HB3' ' A' ' 34' ' ' SER . 0.0 OUTLIER -115.19 175.4 5.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.329 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.515 ' CD1' HD11 ' A' ' 73' ' ' ILE . 90.2 mt -137.38 147.33 45.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 22.0 pt20 -146.63 147.28 30.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.311 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.486 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 103.66 -164.95 15.38 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.519 1.137 . . . . 0.0 110.989 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 135.81 179.24 16.41 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.4 ttpt -66.67 -42.46 86.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 0.774 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -69.72 -17.46 63.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.496 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 11.3 m-85 -93.99 -25.76 17.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.496 ' CB ' ' O ' ' A' ' 27' ' ' PHE . 2.9 t-20 81.61 37.65 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.107 . . . . 0.0 109.277 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.486 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 5.4 ptm -159.82 164.02 21.24 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 156.99 42.78 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.492 1.785 . . . . 0.0 110.986 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 mt -75.65 108.04 8.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.271 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -114.29 167.55 10.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.376 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.527 HG21 ' CD2' ' A' ' 36' ' ' LEU . 49.2 mm -78.55 98.67 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.257 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.457 ' HB3' ' CB ' ' A' ' 20' ' ' ARG . 1.0 OUTLIER -44.36 -57.46 3.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.977 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.672 ' HA ' HD11 ' A' ' 49' ' ' ILE . 0.6 OUTLIER -158.46 179.33 9.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.992 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.744 HD11 ' HB3' ' A' ' 42' ' ' ALA . 0.4 OUTLIER -127.45 167.85 15.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 0.0 109.283 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -115.1 135.0 54.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.096 . . . . 0.0 109.329 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.7 p-10 -40.94 117.81 0.9 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 109.265 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 51.47 43.17 52.11 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.479 1.112 . . . . 0.0 110.951 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 37' ' ' LYS . . . -84.86 158.82 33.79 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.19 -67.38 0.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 0.746 . . . . 0.0 109.343 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.744 ' HB3' HD11 ' A' ' 36' ' ' LEU . . . -40.42 -56.95 1.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 14.3 t -52.32 -46.01 65.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.011 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -59.27 -22.5 61.25 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.406 ' CB ' HG21 ' A' ' 9' ' ' VAL . . . -93.21 13.63 20.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 65.54 44.36 3.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.615 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 93.6 t -100.51 113.03 35.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.3 mtm180 -101.24 160.71 14.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.672 HD11 ' HA ' ' A' ' 35' ' ' SER . 5.9 mt -64.97 141.76 17.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 103.45 -17.45 50.67 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.474 1.109 . . . . 0.0 110.989 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.42 ' HB2' ' CG1' ' A' ' 33' ' ' ILE . 37.8 m-20 -53.85 127.39 25.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 0.786 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 76.9 t -91.04 130.0 40.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.349 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.452 HG11 ' CG1' ' A' ' 56' ' ' ILE . 48.3 t -85.25 101.44 9.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 34.8 mt -66.96 -40.81 87.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.3 p -139.41 165.99 25.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.993 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.471 HG22 ' O ' ' A' ' 56' ' ' ILE . 30.7 mt -138.77 93.53 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 81' ' ' ASN . 6.0 t0 74.66 46.5 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.262 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.7 9.31 61.98 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.445 1.091 . . . . 0.0 110.962 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.7 mm -107.48 142.77 19.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.556 0.798 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.97 123.47 22.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.088 . . . . 0.0 109.959 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -95.75 26.57 3.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -91.18 82.95 5.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.268 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 127.48 -47.8 1.0 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.534 1.146 . . . . 0.0 111.034 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 22.2 mtm -39.0 124.46 1.43 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 0.779 . . . . 0.0 111.016 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.4 p -70.65 164.97 23.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.388 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -48.31 -57.57 5.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.601 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.0 tp -48.86 -57.12 6.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -51.64 -59.78 3.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.432 ' HB1' ' CD1' ' A' ' 56' ' ' ILE . . . -48.76 -46.22 40.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.581 ' HA ' HD12 ' A' ' 73' ' ' ILE . 10.8 mm-40 -62.82 -34.54 77.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.6 -50.94 71.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.575 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 10.0 mmtt -51.02 -48.55 61.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.581 HD12 ' HA ' ' A' ' 70' ' ' GLN . 5.3 mt -47.51 -42.3 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -65.18 -33.55 76.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.575 ' HB3' ' O ' ' A' ' 72' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.7 p . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.592 ' HB2' ' CH2' ' A' ' 17' ' ' TRP . 11.2 tp -111.08 142.03 43.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.439 ' O ' ' N ' ' A' ' 57' ' ' ASP . 0.5 OUTLIER -131.03 104.67 7.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.4 ' HE1' ' CZ ' ' A' ' 19' ' ' PHE . 29.0 mtm -139.54 137.17 35.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.8 m -83.34 147.93 27.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.386 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 53.3 mt -118.02 162.23 18.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.423 ' HG2' ' N ' ' A' ' 86' ' ' ARG . 0.2 OUTLIER -117.41 143.89 45.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.423 ' N ' ' HG2' ' A' ' 85' ' ' GLN . 2.0 mpt_? . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 110.291 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.8 p -100.16 148.33 24.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 0.786 . . . . 0.0 109.958 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.468 ' CG2' ' N ' ' A' ' 10' ' ' SER . 1.5 p -117.31 164.52 13.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.468 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 26.3 t -135.67 126.3 27.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.005 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.439 HD12 ' CE2' ' A' ' 19' ' ' PHE . 18.9 mt -112.27 151.35 29.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.108 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.621 HG13 ' HE2' ' A' ' 41' ' ' LYS . 7.4 p -117.04 106.44 20.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -177.04 156.59 20.72 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.493 1.121 . . . . 0.0 111.031 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.712 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.01 -6.01 17.51 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.546 1.814 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.712 ' HB2' ' O ' ' A' ' 14' ' ' PRO . . . 161.89 -50.22 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.705 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.01 78.11 2.98 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.482 1.78 . . . . 0.0 111.026 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.613 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 1.8 m95 -72.17 -23.5 61.29 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 113.63 -18.37 20.03 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.564 1.165 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.539 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 1.1 p90 -105.15 158.62 16.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 0.788 . . . . 0.0 110.999 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -126.44 171.12 11.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.683 HD11 HD11 ' A' ' 73' ' ' ILE . 59.6 mt -117.07 160.99 20.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -154.0 146.74 24.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 110.258 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.473 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 97.36 -160.01 21.24 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.497 1.123 . . . . 0.0 111.053 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 28' ' ' ASN . . . 130.25 172.66 13.19 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.7 ttpt -62.03 -47.11 86.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 0.77 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -64.51 -19.81 65.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.493 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 6.1 m-85 -93.98 -28.69 15.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.981 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' A' ' 27' ' ' PHE . 2.1 t-20 81.03 56.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.473 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 3.6 ptm -176.13 166.54 1.66 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 111.013 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 152.97 41.51 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.492 1.785 . . . . 0.0 110.99 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.405 ' O ' ' HA ' ' A' ' 52' ' ' VAL . 4.3 mt -74.65 115.42 14.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -124.46 173.19 8.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.377 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 25.3 mm -78.64 111.42 15.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.406 ' HB3' ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -58.75 -59.91 4.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.99 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.403 ' HA ' HD11 ' A' ' 49' ' ' ILE . 0.5 OUTLIER -155.58 -176.96 6.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.979 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.998 HD21 ' HB3' ' A' ' 42' ' ' ALA . 0.4 OUTLIER -150.49 159.56 44.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -95.54 145.46 25.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -47.52 112.18 0.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 50.64 44.54 47.43 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.51 1.131 . . . . 0.0 110.976 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.83 -149.72 0.59 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.621 ' HE2' HG13 ' A' ' 12' ' ' VAL . 1.1 mttp -86.98 -42.2 13.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 109.321 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.998 ' HB3' HD21 ' A' ' 36' ' ' LEU . . . -62.44 -41.54 98.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 32.0 t -57.97 -43.13 86.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.026 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -67.62 -23.38 65.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 110.294 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.438 ' HB1' ' CG2' ' A' ' 9' ' ' VAL . . . -89.26 13.72 12.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.439 ' O ' ' NH1' ' A' ' 48' ' ' ARG . 8.8 m-70 59.2 45.89 13.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.634 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 96.2 t -107.15 122.52 61.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.439 ' NH1' ' O ' ' A' ' 46' ' ' HIS . 0.0 OUTLIER -109.65 162.63 14.24 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 110.304 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.403 HD11 ' HA ' ' A' ' 35' ' ' SER . 3.1 mt -70.48 134.23 30.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 111.79 -14.04 26.95 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.539 1.15 . . . . 0.0 111.019 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -60.09 129.44 41.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 0.76 . . . . 0.0 109.252 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.405 ' HA ' ' O ' ' A' ' 31' ' ' LEU . 79.8 t -94.01 128.4 45.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.444 HG11 ' CG1' ' A' ' 56' ' ' ILE . 40.8 t -82.7 104.33 11.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 60.0 mt -70.75 -36.22 73.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.4 p -144.06 163.44 33.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.009 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.584 ' CD1' ' HB1' ' A' ' 69' ' ' ALA . 48.0 mt -136.58 90.49 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.576 1.173 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 18.7 t0 71.64 49.76 0.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.28 10.17 62.15 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.571 1.169 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.594 HG21 ' HE2' ' A' ' 72' ' ' LYS . 9.3 mm -105.54 133.66 49.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 0.77 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.39 121.49 16.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.992 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -91.75 21.89 4.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.335 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -89.35 101.24 13.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 106.89 -41.55 2.16 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 21.2 mtm -45.79 132.38 8.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 0.742 . . . . 0.0 110.982 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.9 p -74.73 171.44 13.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.123 . . . . 0.0 110.413 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -54.59 -56.93 13.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.582 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 1.016 HD13 ' N ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -48.42 -50.79 29.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 1.016 ' N ' HD13 ' A' ' 67' ' ' LEU . 1.0 OUTLIER -49.55 -65.12 0.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.311 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.584 ' HB1' ' CD1' ' A' ' 56' ' ' ILE . . . -48.11 -38.28 17.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -68.93 -37.04 78.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.323 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.656 ' ND2' HD21 ' A' ' 67' ' ' LEU . 1.3 m-20 -58.72 -48.24 81.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.594 ' HE2' HG21 ' A' ' 59' ' ' ILE . 33.6 mmtm -58.08 -49.64 76.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.694 HG12 HD21 ' A' ' 80' ' ' LEU . 5.8 mt -49.85 -42.44 18.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -63.97 -37.08 86.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 72' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.1 p . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.694 HD21 HG12 ' A' ' 73' ' ' ILE . 12.7 tp -111.82 115.16 28.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -110.12 104.95 13.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.568 ' HE2' HD23 ' A' ' 80' ' ' LEU . 28.9 mtm -134.16 151.27 51.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 111.041 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.4 m -97.73 145.51 26.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 110.444 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 32.4 mt -113.85 162.72 15.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -112.3 129.1 56.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 40.9 t -96.3 161.59 13.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 0.759 . . . . 0.0 110.001 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.481 HG23 ' HB1' ' A' ' 45' ' ' ALA . 1.2 p -130.96 163.79 35.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.472 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 26.8 t -137.24 123.89 21.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.019 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.438 HD12 ' HE2' ' A' ' 19' ' ' PHE . 31.7 mt -115.31 151.64 34.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.237 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 74.7 t -117.76 106.67 20.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -176.51 155.01 17.85 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.477 1.111 . . . . 0.0 111.027 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.713 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.98 -6.34 17.94 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.516 1.798 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.713 ' HB2' ' O ' ' A' ' 14' ' ' PRO . . . 161.72 -50.09 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.713 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.01 76.9 3.27 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.5 1.789 . . . . 0.0 110.981 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.627 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 2.1 m95 -71.35 -23.96 62.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 108.002 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 108.91 6.11 30.45 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.469 1.106 . . . . 0.0 111.04 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.569 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 1.7 p90 -125.33 160.72 28.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 0.77 . . . . 0.0 111.032 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.0 175.51 6.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 110.333 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.47 ' CD2' HD13 ' A' ' 33' ' ' ILE . 73.6 mt -137.06 151.3 48.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -151.89 149.59 29.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.291 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.474 ' CA ' ' HG2' ' A' ' 29' ' ' MET . . . 106.63 -153.1 16.97 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 116.44 175.51 17.78 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -64.63 -22.86 67.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 0.77 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -78.8 -34.02 45.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -93.67 16.24 14.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.959 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 49.68 47.2 23.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.271 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.474 ' HG2' ' CA ' ' A' ' 23' ' ' GLY . 1.9 ptm -168.98 171.92 3.17 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 111.0 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.406 ' O ' ' HG3' ' A' ' 29' ' ' MET . 18.4 Cg_endo -74.98 -161.56 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.525 1.803 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.0 mt -116.25 105.74 12.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.501 HG23 HG22 ' A' ' 52' ' ' VAL . 0.6 OUTLIER -112.98 168.1 9.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 110.404 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.47 HD13 ' CD2' ' A' ' 21' ' ' LEU . 21.4 mm -78.44 105.65 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.74 -58.16 9.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.99 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -153.24 -179.21 7.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 109.981 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 1.048 HD21 ' HB3' ' A' ' 42' ' ' ALA . 0.2 OUTLIER -149.24 163.57 37.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.4 tttp -96.27 147.46 23.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -54.08 113.2 1.15 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 62.63 33.71 87.45 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.499 1.125 . . . . 0.0 110.977 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.8 178.88 24.0 Favored Glycine 0 CA--C 1.529 0.95 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.59 -55.91 22.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 0.748 . . . . 0.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 1.048 ' HB3' HD21 ' A' ' 36' ' ' LEU . . . -45.94 -46.12 15.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.3 t -57.61 -43.05 84.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 110.016 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -65.44 -24.36 67.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.289 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.481 ' HB1' HG23 ' A' ' 9' ' ' VAL . . . -89.4 11.04 20.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 32.7 m-70 64.6 37.72 7.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.575 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 88.9 t -96.61 116.72 39.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 0.0 109.245 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 -103.78 157.9 16.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.285 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.2 mt -67.06 134.77 29.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.286 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 107.49 -4.86 35.05 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -69.17 125.71 27.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 0.768 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.501 HG22 HG23 ' A' ' 32' ' ' THR . 82.5 t -89.85 132.34 34.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.1 t -83.83 102.75 10.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.347 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 50.1 mt -67.45 -44.08 79.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.1 p -138.99 170.26 16.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.973 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 91.6 mt -141.97 91.86 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 81' ' ' ASN . 13.0 t0 68.64 50.74 0.65 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 73.07 3.25 60.15 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.0 mm -97.27 145.98 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 0.756 . . . . 0.0 109.283 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.83 117.47 23.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.042 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -92.95 28.91 1.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -80.41 -57.23 3.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.274 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -105.25 50.17 0.85 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.515 1.135 . . . . 0.0 111.0 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 30.3 mtm -131.07 132.42 44.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 110.997 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 81.5 p -75.68 171.49 14.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.571 1.169 . . . . 0.0 110.422 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.435 ' NE2' ' O ' ' A' ' 21' ' ' LEU . 3.1 t-160 -53.1 -50.62 64.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 109.574 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 1.015 HD13 ' N ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -56.49 -49.54 74.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 1.015 ' N ' HD13 ' A' ' 67' ' ' LEU . 2.3 mt-10 -48.07 -60.32 2.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.296 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.77 -48.7 69.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -56.69 -43.61 80.66 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 110.312 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.693 ' ND2' HD21 ' A' ' 67' ' ' LEU . 1.6 m-20 -52.8 -47.94 67.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.501 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 30.9 mmtm -58.51 -55.93 28.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.605 HG12 HD21 ' A' ' 80' ' ' LEU . 7.7 mt -49.26 -40.52 13.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.7 mttp -62.88 -31.18 72.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 72' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.408 ' HA ' ' O ' ' A' ' 11' ' ' LEU . 2.5 p . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.605 HD21 HG12 ' A' ' 73' ' ' ILE . 12.8 tp -117.49 119.48 35.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.427 ' O ' ' N ' ' A' ' 57' ' ' ASP . 1.0 OUTLIER -114.26 104.82 12.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.107 . . . . 0.0 109.27 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 33.5 mtm -139.0 159.28 42.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 111.019 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.5 m -107.25 147.9 29.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.164 . . . . 0.0 110.349 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 41.6 mt -115.16 163.59 15.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.268 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -111.66 123.75 50.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.128 . . . . 0.0 110.259 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.418 ' HD2' ' N ' ' A' ' 86' ' ' ARG . 1.6 mpt_? . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.311 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 39.6 t -96.18 161.9 13.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 0.748 . . . . 0.0 110.044 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.486 HG22 ' N ' ' A' ' 10' ' ' SER . 1.7 p -139.57 165.24 22.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.54 ' O ' HD23 ' A' ' 11' ' ' LEU . 32.6 t -132.38 136.95 47.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.994 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.54 HD23 ' O ' ' A' ' 10' ' ' SER . 26.4 mt -125.18 148.16 48.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.437 ' O ' HG13 ' A' ' 12' ' ' VAL . 7.6 p -114.78 107.19 22.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -172.11 154.25 21.17 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.711 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.97 -6.51 18.17 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.566 1.824 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.717 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . . . 161.26 -49.57 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.717 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.1 Cg_endo -75.07 79.86 2.58 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.479 1.779 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.639 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 2.3 m95 -75.04 -23.05 58.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 107.996 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.477 ' CA ' ' HB3' ' A' ' 37' ' ' LYS . . . 104.67 27.83 5.9 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.507 1.129 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.567 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 1.6 p90 -150.78 151.94 33.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 0.77 . . . . 0.0 110.985 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.2 mmt-85 -119.24 166.26 13.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.561 HD23 HD13 ' A' ' 33' ' ' ILE . 96.2 mt -126.37 155.36 42.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -155.21 149.72 26.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 110.276 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.468 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 102.4 -161.56 17.06 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.488 1.118 . . . . 0.0 111.03 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 126.46 -173.51 18.07 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.408 ' CA ' ' HE2' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -66.93 -50.02 63.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 0.758 . . . . 0.0 109.297 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -61.05 -20.06 62.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -96.39 -16.54 21.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.5 t30 69.5 38.31 1.79 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.468 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 3.3 ptm -157.21 165.09 19.55 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 110.996 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 155.79 42.82 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.526 1.803 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.403 ' O ' ' HA ' ' A' ' 52' ' ' VAL . 7.6 mt -75.18 112.88 11.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -121.59 168.03 12.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.406 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.561 HD13 HD23 ' A' ' 21' ' ' LEU . 29.0 mm -78.54 105.2 7.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.93 -62.28 1.61 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.011 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.455 ' HA ' HD11 ' A' ' 49' ' ' ILE . 0.5 OUTLIER -149.83 174.7 12.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.033 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.781 HD12 ' HB2' ' A' ' 43' ' ' SER . 0.2 OUTLIER -120.03 154.95 33.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.258 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.477 ' HB3' ' CA ' ' A' ' 18' ' ' GLY . 0.0 OUTLIER -100.13 135.14 42.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.29 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -49.52 123.26 7.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.335 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 44.01 50.78 7.44 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.47 1.106 . . . . 0.0 110.992 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -98.66 179.65 31.76 Favored Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.421 ' CE ' HG12 ' A' ' 12' ' ' VAL . 0.1 OUTLIER -62.88 -57.02 12.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 0.784 . . . . 0.0 109.305 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.48 ' HB2' ' HB3' ' A' ' 19' ' ' PHE . . . -41.66 -61.77 1.02 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.781 ' HB2' HD12 ' A' ' 36' ' ' LEU . 38.8 t -47.42 -48.4 26.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.432 1.082 . . . . 0.0 109.956 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -57.2 -27.36 61.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 42' ' ' ALA . . . -87.5 11.64 14.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 34.1 m-70 61.25 36.92 17.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.635 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.614 HG13 ' OD2' ' A' ' 51' ' ' ASP . 86.3 t -94.35 110.06 23.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.9 mtm180 -102.11 162.27 13.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.455 HD11 ' HA ' ' A' ' 35' ' ' SER . 3.0 mt -61.71 132.13 27.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 114.06 -18.24 19.01 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.478 1.111 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.614 ' OD2' HG13 ' A' ' 47' ' ' VAL . 15.1 m-20 -53.66 124.05 14.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 0.779 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 31' ' ' LEU . 85.5 t -94.36 128.61 45.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.543 HG11 ' CG1' ' A' ' 56' ' ' ILE . 22.1 t -80.55 111.53 17.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.471 HD12 ' O ' ' A' ' 84' ' ' LEU . 45.0 mt -76.81 -38.11 54.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.371 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.9 m -152.77 158.14 41.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 109.998 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.543 ' CG1' HG11 ' A' ' 53' ' ' VAL . 18.1 mt -132.69 130.29 59.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 81' ' ' ASN . 39.0 t0 54.58 29.12 10.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 85.54 1.17 87.85 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.471 1.107 . . . . 0.0 111.025 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.471 HG13 ' CE ' ' A' ' 72' ' ' LYS . 5.9 mm -94.84 126.4 47.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.447 0.734 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.22 123.15 19.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.983 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -89.51 43.17 1.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -90.95 62.21 4.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.281 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 120.14 43.15 0.49 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.517 1.136 . . . . 0.0 110.953 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 5.4 mtm -115.54 137.52 51.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 0.747 . . . . 0.0 111.001 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.4 p -80.68 164.27 22.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 110.43 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -52.2 -56.8 12.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.634 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.0 tp -46.61 -50.87 16.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 109.355 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -51.02 -69.14 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.332 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.536 ' HB1' HD12 ' A' ' 56' ' ' ILE . . . -47.73 -44.55 27.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -58.81 -40.56 84.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.99 -50.65 72.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.494 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 36.0 mmtt -52.95 -58.54 6.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.421 1.076 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.689 HG12 HD21 ' A' ' 80' ' ' LEU . 6.4 mt -44.57 -47.41 2.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.0 mttp -60.54 -38.97 86.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.494 ' HB3' ' O ' ' A' ' 72' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.265 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.418 ' HA ' ' O ' ' A' ' 11' ' ' LEU . 1.2 p . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.689 HD21 HG12 ' A' ' 73' ' ' ILE . 9.3 tp -110.64 121.76 46.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.451 ' O ' ' N ' ' A' ' 57' ' ' ASP . 0.9 OUTLIER -116.43 105.22 12.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.468 ' HE1' ' CZ ' ' A' ' 19' ' ' PHE . 27.9 mtm -136.77 156.04 49.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.138 . . . . 0.0 111.012 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.8 m -104.18 146.1 29.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.411 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.471 ' O ' HD12 ' A' ' 54' ' ' LEU . 47.7 mt -115.78 162.1 17.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -110.31 119.28 38.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.309 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.088 . . . . 0.0 110.288 -179.94 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 40.8 t -94.44 163.24 13.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 0.767 . . . . 0.0 109.991 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.465 ' CG2' ' N ' ' A' ' 10' ' ' SER . 0.9 OUTLIER -137.94 163.4 29.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.465 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 47.2 t -136.2 130.29 32.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.025 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 54.9 mt -119.69 148.01 43.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 76.1 t -115.69 106.66 20.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -174.63 156.36 22.81 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.512 1.132 . . . . 0.0 111.05 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.697 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.01 -5.8 17.25 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.518 1.799 . . . . 0.0 110.962 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.73 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . . . 161.8 -50.15 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.73 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.95 78.81 2.79 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.451 1.763 . . . . 0.0 111.028 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.633 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 1.9 m95 -73.3 -23.72 60.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 107.983 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.459 ' CA ' ' HB3' ' A' ' 37' ' ' LYS . . . 107.45 26.19 5.74 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.472 1.107 . . . . 0.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.603 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 0.9 OUTLIER -147.86 149.55 32.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 0.751 . . . . 0.0 110.962 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.415 ' CB ' ' OG ' ' A' ' 34' ' ' SER . 2.8 mmt180 -113.23 174.63 5.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.578 HD11 HD13 ' A' ' 73' ' ' ILE . 54.6 mt -131.1 159.77 36.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -160.41 145.72 14.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.479 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 102.34 -160.52 17.44 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.488 1.118 . . . . 0.0 110.984 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 127.63 175.21 14.01 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.18 -36.53 84.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 0.749 . . . . 0.0 109.302 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.54 -20.93 61.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.433 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 27.0 m-85 -95.87 -17.47 21.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.087 . . . . 0.0 111.0 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.433 ' CB ' ' O ' ' A' ' 27' ' ' PHE . 20.2 t-20 78.29 36.64 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.479 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 4.3 ptm -159.73 164.56 19.97 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.959 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 157.59 42.54 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.466 1.771 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.402 ' O ' ' HA ' ' A' ' 52' ' ' VAL . 1.6 mt -75.42 118.44 18.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -127.2 168.73 14.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.093 . . . . 0.0 110.389 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.431 HG21 ' CD2' ' A' ' 36' ' ' LEU . 37.8 mm -78.66 104.23 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.42 ' HB3' ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -48.78 -60.24 2.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.967 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.75 176.36 12.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.113 . . . . 0.0 109.953 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.861 HD12 ' HB3' ' A' ' 43' ' ' SER . 0.4 OUTLIER -117.23 154.22 31.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.459 ' HB3' ' CA ' ' A' ' 18' ' ' GLY . 0.0 OUTLIER -97.23 136.02 38.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.69 112.56 0.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 58.49 46.3 93.32 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.453 1.096 . . . . 0.0 111.035 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -90.92 178.44 42.22 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -71.48 -54.78 9.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.766 . . . . 0.0 109.305 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.474 ' CB ' ' HB3' ' A' ' 19' ' ' PHE . . . -40.23 -60.73 1.01 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.861 ' HB3' HD12 ' A' ' 36' ' ' LEU . 5.9 p -47.46 -48.37 26.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.999 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -63.54 -22.64 67.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 42' ' ' ALA . . . -90.74 16.72 8.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.415 ' HA ' ' NH2' ' A' ' 48' ' ' ARG . 13.5 m-70 59.13 50.25 8.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.102 . . . . 0.0 109.579 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 44.5 t -108.77 99.24 8.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.42 ' NH2' ' O ' ' A' ' 43' ' ' SER . 8.8 mmp_? -87.94 166.42 14.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.0 mt -72.33 133.36 31.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 107.27 -9.67 39.08 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.506 1.129 . . . . 0.0 111.032 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.406 ' OD2' HD13 ' A' ' 84' ' ' LEU . 10.7 m-20 -58.51 125.05 21.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 0.751 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.402 ' HA ' ' O ' ' A' ' 31' ' ' LEU . 72.3 t -93.11 129.86 43.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.506 ' CG1' ' O ' ' A' ' 55' ' ' SER . 99.8 t -84.1 104.57 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 32.6 mt -69.29 -45.46 69.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.506 ' O ' ' CG1' ' A' ' 53' ' ' VAL . 87.8 p -130.92 172.76 11.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.006 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.547 HG22 ' O ' ' A' ' 56' ' ' ILE . 17.5 mt -146.12 92.68 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 81' ' ' ASN . 7.3 t0 71.57 43.86 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.112 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 75.63 5.3 78.2 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.459 1.1 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.42 ' O ' ' N ' ' A' ' 56' ' ' ILE . 2.9 mm -103.4 137.58 31.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 0.768 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.4 t -67.74 120.92 14.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.976 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -102.35 40.21 1.39 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -88.87 -48.22 7.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -113.5 52.64 0.63 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.543 1.152 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 8.1 mtm -129.27 135.5 48.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 0.739 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 19.4 p -79.96 165.45 22.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.391 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -47.43 -48.89 26.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.578 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.994 HD13 ' N ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -57.09 -54.35 47.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.994 ' N ' HD13 ' A' ' 67' ' ' LEU . 9.7 mm-40 -45.54 -57.03 4.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.518 ' HB1' ' CD1' ' A' ' 56' ' ' ILE . . . -56.62 -51.89 66.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -53.16 -47.3 68.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.761 ' ND2' HD21 ' A' ' 67' ' ' LEU . 1.9 m-20 -52.1 -48.66 64.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.421 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 18.1 mmtt -59.51 -57.74 11.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.578 HD13 HD11 ' A' ' 21' ' ' LEU . 5.3 mt -50.96 -40.22 20.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.343 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.0 tttt -65.47 -32.47 74.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 72' ' ' LYS . . . . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.577 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 12.7 tp -114.42 118.38 33.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.415 ' O ' ' N ' ' A' ' 57' ' ' ASP . 1.2 m-80 -116.61 105.04 12.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.09 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 25.3 mtm -140.56 152.85 45.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 111.001 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.438 ' O ' HD23 ' A' ' 84' ' ' LEU . 5.9 m -98.45 147.44 24.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.393 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.438 HD23 ' O ' ' A' ' 83' ' ' THR . 17.6 mt -114.77 166.18 12.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.426 ' HG2' ' N ' ' A' ' 86' ' ' ARG . 0.0 OUTLIER -117.28 137.74 52.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.298 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.426 ' N ' ' HG2' ' A' ' 85' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.31 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.7 p -93.5 151.66 19.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 0.791 . . . . 0.0 109.983 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.458 ' CG2' ' N ' ' A' ' 10' ' ' SER . 1.3 p -122.03 163.34 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.458 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 47.3 t -133.37 115.65 15.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.017 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.462 HD13 ' HB3' ' A' ' 17' ' ' TRP . 34.5 mt -102.99 149.97 24.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 77.9 t -117.94 106.35 19.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -177.26 156.88 21.21 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.714 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.04 -4.88 16.05 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.493 1.786 . . . . 0.0 111.031 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.724 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . . . 161.67 -50.14 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.724 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -75.02 77.61 3.1 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.509 1.794 . . . . 0.0 111.02 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.588 ' CZ2' ' HB2' ' A' ' 80' ' ' LEU . 2.8 m95 -70.19 -25.96 63.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 107.952 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.474 ' CA ' ' HB3' ' A' ' 37' ' ' LYS . . . 106.28 29.11 4.94 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.483 1.115 . . . . 0.0 110.976 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.601 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 0.8 OUTLIER -148.95 149.56 31.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 0.796 . . . . 0.0 111.018 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.4 mmm180 -114.44 175.71 5.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 110.343 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.452 ' C ' ' NE2' ' A' ' 66' ' ' HIS . 69.6 mt -135.1 152.25 51.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -153.03 143.32 22.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.565 1.166 . . . . 0.0 110.286 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.477 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 107.98 -157.72 15.23 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.493 1.121 . . . . 0.0 111.029 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 122.97 -169.96 15.35 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.39 -55.88 8.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 0.765 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -56.46 -19.33 14.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -95.85 -20.37 18.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 111.014 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 72.78 43.5 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.477 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 4.7 ptm -164.57 164.99 13.13 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 155.89 43.01 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.529 1.805 . . . . 0.0 111.009 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.7 mt -75.35 111.96 11.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.255 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -117.94 167.78 11.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.427 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.439 HG21 HD23 ' A' ' 36' ' ' LEU . 30.0 mm -78.46 100.35 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.405 ' HB3' ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -45.9 -59.61 2.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 109.994 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.503 ' HA ' HD11 ' A' ' 49' ' ' ILE . 0.5 OUTLIER -153.8 175.37 13.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.997 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.788 HD12 ' HB3' ' A' ' 43' ' ' SER . 0.2 OUTLIER -119.57 163.54 17.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.272 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.474 ' HB3' ' CA ' ' A' ' 18' ' ' GLY . 13.0 tttp -109.67 128.28 55.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -43.34 121.52 2.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 45.8 53.77 8.43 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -103.08 165.44 16.03 Favored Glycine 0 CA--C 1.531 1.057 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.09 -48.51 64.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 0.785 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.476 ' CB ' ' HB3' ' A' ' 19' ' ' PHE . . . -48.98 -63.91 0.96 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.788 ' HB3' HD12 ' A' ' 36' ' ' LEU . 83.8 p -47.25 -48.26 24.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.0 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -54.91 -26.2 34.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.36 12.56 13.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 10.5 m170 59.87 42.95 15.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.623 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.464 HG13 ' OD2' ' A' ' 51' ' ' ASP . 98.1 t -98.5 112.36 30.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.408 1.067 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.5 mtm180 -101.47 161.5 13.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 110.284 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.503 HD11 ' HA ' ' A' ' 35' ' ' SER . 3.1 mt -64.92 133.72 30.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 112.84 -18.42 22.03 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.566 1.166 . . . . 0.0 111.03 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.464 ' OD2' HG13 ' A' ' 47' ' ' VAL . 13.3 m-20 -53.84 126.04 20.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.757 . . . . 0.0 109.236 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 82.7 t -94.66 132.61 38.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.33 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.418 HG11 ' CG1' ' A' ' 56' ' ' ILE . 43.4 t -89.11 104.85 15.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 42.5 mt -73.28 -42.62 62.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.3 p -131.89 164.47 26.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 110.007 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.582 ' CD1' ' HB1' ' A' ' 69' ' ' ALA . 55.5 mt -142.26 98.32 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 81' ' ' ASN . 16.2 t0 71.23 50.65 0.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.113 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 65.44 13.18 57.96 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.536 1.147 . . . . 0.0 111.008 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.418 HG13 ' CE ' ' A' ' 72' ' ' LYS . 3.1 mm -109.36 143.41 19.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.498 0.763 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.4 t -75.07 123.88 25.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 110.008 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -98.75 28.24 4.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -92.97 53.51 2.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 0.0 110.321 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 142.66 45.22 0.05 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 9.1 mtm -129.45 135.48 48.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 0.754 . . . . 0.0 110.989 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.9 p -72.23 161.9 30.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.42 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.452 ' NE2' ' C ' ' A' ' 21' ' ' LEU . 3.1 t-160 -51.92 -50.46 61.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.596 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 1.006 HD13 ' N ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -53.98 -54.49 38.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 1.006 ' N ' HD13 ' A' ' 67' ' ' LEU . 54.6 mm-40 -46.66 -60.14 2.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 110.277 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.582 ' HB1' ' CD1' ' A' ' 56' ' ' ILE . . . -51.71 -43.57 62.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.442 ' HA ' HD12 ' A' ' 73' ' ' ILE . 5.9 mm-40 -64.02 -37.19 86.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.566 1.166 . . . . 0.0 110.263 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.678 ' ND2' HD21 ' A' ' 67' ' ' LEU . 1.7 m-20 -62.02 -46.46 89.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.518 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 20.7 mmtm -57.72 -52.47 65.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.518 ' HA ' HD11 ' A' ' 80' ' ' LEU . 6.1 mt -45.54 -41.98 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.108 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.66 -40.35 87.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 72' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.4 p . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.588 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 11.1 tp -111.0 142.46 43.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.426 ' O ' ' N ' ' A' ' 57' ' ' ASP . 0.6 OUTLIER -131.43 105.11 7.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.454 ' HE1' ' CZ ' ' A' ' 19' ' ' PHE . 39.6 mtm -139.88 144.65 37.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.2 m -91.23 148.37 22.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.393 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 50.6 mt -117.0 166.44 12.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -121.58 125.35 46.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 110.328 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.266 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.9 p -92.37 151.93 20.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 0.781 . . . . 0.0 110.003 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.473 ' CG2' ' N ' ' A' ' 10' ' ' SER . 1.4 p -129.27 164.09 32.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.473 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 40.4 t -128.34 124.44 36.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.996 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.542 HD13 ' HB3' ' A' ' 17' ' ' TRP . 6.3 mt -99.82 147.87 25.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.168 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 76.2 t -118.05 106.44 19.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.292 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -178.93 156.95 19.98 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.698 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -75.0 -5.22 16.52 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.506 1.793 . . . . 0.0 111.032 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.736 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . . . 161.89 -50.52 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.736 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.99 75.88 3.56 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.461 1.769 . . . . 0.0 111.013 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.591 ' CZ2' ' HB2' ' A' ' 80' ' ' LEU . 2.7 m95 -67.19 -27.49 67.31 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.463 ' CA ' ' HB3' ' A' ' 37' ' ' LYS . . . 103.59 29.48 5.6 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.49 1.118 . . . . 0.0 110.966 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.629 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -148.58 148.74 30.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 0.761 . . . . 0.0 110.975 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.68 174.66 6.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.806 HD11 HD11 ' A' ' 73' ' ' ILE . 77.9 mt -120.09 160.18 23.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -156.12 149.11 24.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.273 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.48 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 91.14 -162.02 28.22 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.544 1.153 . . . . 0.0 111.012 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 132.11 161.43 10.04 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.86 -29.08 26.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 0.757 . . . . 0.0 109.291 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -79.02 -31.55 44.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -87.39 -3.39 59.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 111.002 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 60.87 53.08 3.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.48 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 4.3 ptm -172.96 165.71 3.24 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.145 . . . . 0.0 110.996 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.4 ' O ' ' HG3' ' A' ' 29' ' ' MET . 18.4 Cg_endo -74.96 155.23 43.13 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.523 1.802 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.401 ' O ' ' HA ' ' A' ' 52' ' ' VAL . 5.8 mt -74.76 119.84 19.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -127.79 171.16 11.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.389 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.52 HG21 ' CD2' ' A' ' 36' ' ' LEU . 22.7 mm -78.47 100.89 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.42 ' HB3' ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -44.49 -57.29 3.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.98 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.505 ' HA ' HD11 ' A' ' 49' ' ' ILE . 0.5 OUTLIER -157.0 175.57 13.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 110.009 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.841 HD12 ' HB2' ' A' ' 43' ' ' SER . 0.3 OUTLIER -120.01 167.68 11.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.271 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.463 ' HB3' ' CA ' ' A' ' 18' ' ' GLY . 5.4 tttp -113.95 133.82 55.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.16 118.39 1.89 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 47.84 51.63 17.9 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.51 1.131 . . . . 0.0 111.029 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -98.5 162.66 20.64 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.76 -59.19 3.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 0.743 . . . . 0.0 109.246 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.48 ' CB ' ' HB3' ' A' ' 19' ' ' PHE . . . -42.04 -63.74 0.69 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.107 . . . . 0.0 109.367 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.841 ' HB2' HD12 ' A' ' 36' ' ' LEU . 1.4 t -47.43 -47.8 26.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.025 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -55.06 -25.72 32.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 110.268 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 42' ' ' ALA . . . -90.67 14.92 12.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 64.22 42.43 5.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.582 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.436 HG13 ' OD2' ' A' ' 51' ' ' ASP . 93.1 t -96.08 108.58 21.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.2 mtm180 -105.59 155.62 19.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.505 HD11 ' HA ' ' A' ' 35' ' ' SER . 2.9 mt -58.57 132.66 23.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.451 1.095 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 115.12 -19.39 15.22 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.484 1.115 . . . . 0.0 111.025 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.436 ' OD2' HG13 ' A' ' 47' ' ' VAL . 38.3 m-20 -53.99 124.37 15.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 0.758 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.401 ' HA ' ' O ' ' A' ' 31' ' ' LEU . 77.4 t -93.75 128.67 44.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.349 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.482 HG11 ' CG1' ' A' ' 56' ' ' ILE . 36.6 t -87.69 106.59 16.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.402 HD11 ' HB2' ' A' ' 85' ' ' GLN . 40.2 mt -75.82 -33.04 60.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.263 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.407 ' O ' ' CG1' ' A' ' 53' ' ' VAL . 18.0 p -146.14 166.79 25.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.143 . . . . 0.0 110.028 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.482 ' CG1' HG11 ' A' ' 53' ' ' VAL . 85.9 mt -142.94 89.37 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 81' ' ' ASN . 17.7 t0 75.81 55.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 63.43 13.71 51.3 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.528 1.142 . . . . 0.0 110.991 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.404 ' O ' ' HA ' ' A' ' 55' ' ' SER . 2.3 mm -107.9 138.05 36.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.519 0.776 . . . . 0.0 109.255 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.2 t -73.68 122.76 22.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 109.985 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -103.81 33.22 3.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -74.29 -64.38 1.03 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.301 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -105.46 51.94 0.74 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.528 1.143 . . . . 0.0 111.035 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.7 mtm -117.33 132.53 56.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 0.761 . . . . 0.0 111.016 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 64.3 p -79.85 157.44 26.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.374 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.444 ' NE2' ' C ' ' A' ' 21' ' ' LEU . 2.0 t-160 -43.31 -50.12 6.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.631 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 18.5 tp -55.53 -50.72 69.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.247 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -51.11 -64.69 0.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 110.285 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.03 -48.48 43.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -58.73 -41.12 85.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 110.279 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -52.61 -53.27 49.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 75' ' ' ALA . 25.1 mmmt -47.36 -61.37 1.94 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.806 HD11 HD11 ' A' ' 21' ' ' LEU . 5.9 mt -44.92 -48.71 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -51.45 -36.98 46.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 72' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.8 p . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.591 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 14.4 tp -120.32 110.58 16.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 57' ' ' ASP . 1.7 m-80 -98.55 109.24 22.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.09 . . . . 0.0 109.342 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.434 ' HB2' ' HE3' ' A' ' 82' ' ' MET . 35.0 mtm -134.68 145.15 48.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 111.028 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 20.3 m -90.69 151.04 21.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.368 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 70.0 mt -125.26 168.13 13.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.117 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.428 ' HG3' ' N ' ' A' ' 86' ' ' ARG . 1.1 tp-100 -129.29 136.8 50.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.308 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.428 ' N ' ' HG3' ' A' ' 85' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.095 . . . . 0.0 110.298 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.0 m -106.47 156.4 18.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 0.764 . . . . 0.0 110.008 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.467 ' CG2' ' N ' ' A' ' 10' ' ' SER . 1.4 p -143.53 164.36 15.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.467 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 9.4 t -134.39 129.37 35.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.008 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.406 HD12 ' CE2' ' A' ' 19' ' ' PHE . 35.4 mt -113.07 148.57 34.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.346 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.42 ' O ' HG13 ' A' ' 12' ' ' VAL . 7.1 p -117.8 106.62 20.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -176.2 157.05 22.56 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.461 1.1 . . . . 0.0 111.022 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.711 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.01 -6.06 17.57 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.526 1.803 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.724 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . . . 161.96 -50.25 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.57 1.169 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.724 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.0 77.46 3.13 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.441 1.758 . . . . 0.0 110.959 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.609 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 2.1 m95 -71.03 -24.9 62.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 108.016 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.458 ' O ' HD13 ' A' ' 36' ' ' LEU . . . 108.06 3.88 33.68 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.498 1.124 . . . . 0.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.608 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 0.7 OUTLIER -121.96 139.77 53.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 0.779 . . . . 0.0 110.968 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.446 ' CB ' ' OG ' ' A' ' 34' ' ' SER . 2.7 mmm180 -106.99 174.32 5.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 110.294 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.557 HD23 HD13 ' A' ' 33' ' ' ILE . 72.9 mt -135.5 154.66 51.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -158.94 149.27 19.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 110.297 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.486 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 100.99 -157.38 19.17 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.125 . . . . 0.0 111.043 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 121.96 -175.48 16.31 Favored Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.18 -53.51 43.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 0.754 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -59.16 -17.44 27.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -97.48 -15.05 20.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 110.983 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 70.04 35.48 2.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.255 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.486 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 3.3 ptm -157.61 165.41 18.78 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.149 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 154.43 42.45 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.488 1.783 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.6 mt -75.33 111.27 10.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.419 ' HA ' ' O ' ' A' ' 51' ' ' ASP . 0.6 OUTLIER -119.7 167.56 11.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.445 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.557 HD13 HD23 ' A' ' 21' ' ' LEU . 51.4 mm -78.23 102.02 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.446 ' OG ' ' CB ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -44.1 -56.01 4.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.157 . . . . 0.0 110.006 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -161.26 179.95 7.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.992 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.975 HD11 ' HB3' ' A' ' 42' ' ' ALA . 0.2 OUTLIER -130.57 151.94 50.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 18' ' ' GLY . 6.2 ttpt -95.93 149.48 21.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -57.3 118.02 4.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.37 46.71 86.51 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.463 1.102 . . . . 0.0 110.981 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -87.95 160.89 31.44 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.14 -47.07 72.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 0.789 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.975 ' HB3' HD11 ' A' ' 36' ' ' LEU . . . -55.59 -56.73 16.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.2 p -54.64 -34.21 61.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.002 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -69.0 -21.95 64.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 110.335 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.404 ' HB3' HG23 ' A' ' 47' ' ' VAL . . . -89.44 11.14 20.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 13.3 m-70 65.99 37.61 5.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.566 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.404 HG23 ' HB3' ' A' ' 45' ' ' ALA . 60.5 t -94.75 113.58 29.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -95.93 152.23 18.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 110.277 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.415 HD13 ' HA ' ' A' ' 49' ' ' ILE . 21.1 mm -58.34 138.17 19.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 108.91 -11.87 34.7 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.469 1.106 . . . . 0.0 111.011 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.723 ' CG ' HD22 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -53.6 142.12 23.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 0.744 . . . . 0.0 109.314 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 75.5 t -110.69 116.79 53.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.474 ' CG1' ' O ' ' A' ' 55' ' ' SER . 61.4 t -71.59 104.6 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.431 HD21 ' HB2' ' A' ' 85' ' ' GLN . 39.7 mt -71.8 -37.45 70.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.474 ' O ' ' CG1' ' A' ' 53' ' ' VAL . 33.9 p -141.01 169.35 17.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.996 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.652 ' CD1' ' HB1' ' A' ' 69' ' ' ALA . 77.1 mt -143.77 86.28 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 81' ' ' ASN . 5.4 t70 76.73 46.57 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 73.55 2.86 61.1 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.473 1.108 . . . . 0.0 110.984 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.4 mm -97.2 144.22 11.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.482 0.754 . . . . 0.0 109.33 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.64 115.81 16.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 110.004 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -94.8 28.13 2.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -85.67 -49.39 8.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.412 1.07 . . . . 0.0 110.297 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -109.8 47.64 1.02 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.499 1.124 . . . . 0.0 111.042 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 7.7 mtm -129.01 134.82 48.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 0.761 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.452 ' OG1' ' CG ' ' A' ' 68' ' ' GLU . 27.3 p -74.45 171.52 13.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.398 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -54.57 -54.28 43.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.58 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 1.032 HD13 ' N ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -56.94 -47.01 81.68 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 1.032 ' N ' HD13 ' A' ' 67' ' ' LEU . 22.9 mm-40 -47.15 -57.99 4.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.272 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.722 ' O ' HD12 ' A' ' 73' ' ' ILE . . . -58.86 -46.25 88.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.344 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -56.58 -39.69 73.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.289 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.702 ' ND2' HD21 ' A' ' 67' ' ' LEU . 1.8 m-20 -57.97 -50.06 74.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.416 ' NZ ' ' HB3' ' A' ' 72' ' ' LYS . 0.6 OUTLIER -54.32 -63.29 1.2 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.722 HD12 ' O ' ' A' ' 69' ' ' ALA . 3.4 mt -45.82 -34.34 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.107 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.14 -51.84 67.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.336 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 179.994 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.564 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 14.2 tp -115.4 125.58 53.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 57' ' ' ASP . 1.0 OUTLIER -114.9 105.34 12.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.526 ' HE1' ' CZ ' ' A' ' 19' ' ' PHE . 45.6 mtm -136.0 167.14 21.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 111.042 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.9 m -117.78 147.21 43.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.371 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.723 HD22 ' CG ' ' A' ' 51' ' ' ASP . 8.7 mt -117.74 159.6 22.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.431 ' HB2' HD21 ' A' ' 54' ' ' LEU . 39.7 tt0 -108.62 123.1 48.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.312 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.309 -179.991 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.8 p -88.73 146.09 25.24 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 0.765 . . . . 0.0 110.016 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.673 HG11 HD11 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -117.04 153.69 18.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.274 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 36.1 t -122.62 122.53 39.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.995 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.458 HD12 ' HE2' ' A' ' 19' ' ' PHE . 39.3 mt -113.47 145.05 41.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.4 p -112.79 106.35 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -173.04 154.77 21.39 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.721 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.02 -6.94 18.68 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.438 1.757 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.721 ' HB2' ' O ' ' A' ' 14' ' ' PRO . . . 161.26 -49.63 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.709 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.96 80.24 2.47 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.505 1.792 . . . . 0.0 111.016 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.658 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 1.9 m95 -75.76 -22.22 56.68 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 107.83 -14.39 37.95 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.511 1.132 . . . . 0.0 110.987 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.545 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 1.4 p90 -106.31 157.98 17.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 0.739 . . . . 0.0 110.991 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.46 167.98 16.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.442 ' CD2' HD13 ' A' ' 33' ' ' ILE . 23.0 mt -121.02 161.81 21.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -158.42 147.77 19.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.174 . . . . 0.0 110.282 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.481 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 98.49 -163.12 20.72 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.519 1.137 . . . . 0.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.46 179.95 16.84 Favored Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.95 -44.67 79.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 0.746 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.71 -14.84 63.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.095 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.441 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 6.0 m-85 -97.49 -24.85 15.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.441 ' CB ' ' O ' ' A' ' 27' ' ' PHE . 1.3 t-20 77.8 46.16 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.481 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 3.0 ptm -167.46 165.75 8.49 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 111.009 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 152.82 41.15 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.475 1.776 . . . . 0.0 110.993 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 mt -75.48 109.71 9.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -118.09 168.24 10.74 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 110.436 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.585 HG22 ' CD1' ' A' ' 49' ' ' ILE . 17.6 mm -78.34 102.99 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -47.76 -62.14 1.6 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 110.01 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.15 -173.93 4.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.991 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.908 HD21 ' HB3' ' A' ' 42' ' ' ALA . 0.3 OUTLIER -156.53 158.73 37.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 62.1 tttt -95.11 147.22 23.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -51.74 117.69 2.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 50.15 41.22 38.18 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.52 -145.36 0.58 Allowed Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.15 -63.43 1.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.763 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.908 ' HB3' HD21 ' A' ' 36' ' ' LEU . . . -46.26 -42.31 14.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.4 t -62.26 -41.8 98.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.98 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -63.08 -24.81 68.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 110.27 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.76 7.88 31.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.112 . . . . 0.0 109.349 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 26.1 m-70 67.15 45.2 1.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 109.589 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 66.6 t -108.0 115.73 49.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.6 mtm180 -98.75 136.3 38.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 110.317 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.585 ' CD1' HG22 ' A' ' 33' ' ' ILE . 20.8 mm -41.09 141.39 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 109.349 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 109.39 -13.13 33.36 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.527 1.142 . . . . 0.0 111.045 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.755 ' OD1' HD22 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -53.96 141.96 26.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 0.787 . . . . 0.0 109.243 -179.945 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 73.2 t -108.69 118.0 55.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.487 HG11 ' CG1' ' A' ' 56' ' ' ILE . 28.8 t -72.79 103.97 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 87.7 mt -70.98 -39.19 72.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.3 m -152.18 159.61 43.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.123 . . . . 0.0 110.027 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.487 ' CG1' HG11 ' A' ' 53' ' ' VAL . 17.8 mt -131.37 128.98 62.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 81' ' ' ASN . 34.8 t70 55.22 20.58 3.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 97.0 -3.29 62.16 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.535 1.147 . . . . 0.0 110.98 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.424 HG13 ' CE ' ' A' ' 72' ' ' LYS . 5.1 mm -89.77 125.37 42.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.516 0.774 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.51 121.27 14.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.997 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -89.54 42.86 1.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -81.86 -39.37 24.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.275 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -131.8 46.71 1.05 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.488 1.118 . . . . 0.0 110.969 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.5 mtm -119.14 144.76 46.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 111.028 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 73.2 p -95.01 159.56 14.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.368 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -42.84 -53.43 4.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.559 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 11.7 tp -48.91 -56.91 7.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -50.16 -64.19 0.89 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.294 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.474 ' HB1' HD12 ' A' ' 56' ' ' ILE . . . -50.08 -47.02 53.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -57.9 -42.65 85.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -53.45 -52.78 58.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.424 ' CE ' HG13 ' A' ' 59' ' ' ILE . 36.6 mmtt -52.28 -53.46 43.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 6.8 mt -53.68 -30.15 18.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.98 -24.81 35.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.279 -179.976 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.0 p . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.573 ' HB2' ' CH2' ' A' ' 17' ' ' TRP . 12.7 tp -122.51 133.87 54.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 109.279 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 57' ' ' ASP . 0.7 OUTLIER -128.11 105.28 8.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.286 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.437 ' HE1' ' CZ ' ' A' ' 19' ' ' PHE . 27.0 mtm -137.68 164.33 29.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 111.051 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.6 m -107.6 150.7 26.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 110.38 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.755 HD22 ' OD1' ' A' ' 51' ' ' ASP . 11.5 mt -124.62 160.3 28.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.344 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -113.97 120.18 39.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.259 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.318 179.984 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.3 p -99.24 154.7 17.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.593 0.82 . . . . 0.0 109.992 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.433 ' CG2' ' N ' ' A' ' 10' ' ' SER . 0.5 OUTLIER -121.43 160.12 23.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.433 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 19.0 t -128.4 122.99 32.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.999 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 70.3 mt -115.14 144.15 44.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 75.3 t -114.49 106.86 21.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -174.8 156.64 23.18 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.509 1.131 . . . . 0.0 110.945 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.706 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -75.05 -5.57 16.93 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.496 1.787 . . . . 0.0 111.004 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.729 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . . . 161.72 -50.14 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.729 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.95 78.67 2.83 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.472 1.775 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.625 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 2.2 m95 -73.0 -24.26 60.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 108.028 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.469 ' CA ' ' HB3' ' A' ' 37' ' ' LYS . . . 105.66 27.76 5.63 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.49 1.119 . . . . 0.0 110.984 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.591 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 1.2 p90 -148.7 144.29 27.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 0.762 . . . . 0.0 110.986 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.416 ' CB ' ' OG ' ' A' ' 34' ' ' SER . 5.2 mmm180 -111.19 165.35 11.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 21' ' ' LEU . 31.4 mt -126.21 157.68 37.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -158.07 153.17 25.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 110.302 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.486 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 98.17 -155.9 20.36 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.485 1.116 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 119.88 -176.65 16.22 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.437 ' HB3' HG22 ' A' ' 65' ' ' THR . 3.6 ttpt -66.73 -49.49 65.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 0.742 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.03 -18.66 47.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -98.95 -18.81 17.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 111.03 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.9 t30 75.49 39.42 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.486 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 5.9 ptm -161.45 164.98 17.44 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.997 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 156.58 42.7 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.48 1.779 . . . . 0.0 110.995 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.406 ' O ' ' HA ' ' A' ' 52' ' ' VAL . 1.6 mt -75.3 117.37 17.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.103 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -124.52 167.34 14.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.432 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 26.0 mm -78.49 101.65 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.416 ' OG ' ' CB ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -46.24 -59.9 2.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.993 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.89 179.72 8.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.994 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.876 HD12 ' HB3' ' A' ' 43' ' ' SER . 0.4 OUTLIER -119.4 167.78 11.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.469 ' HB3' ' CA ' ' A' ' 18' ' ' GLY . 11.8 tttt -114.78 128.02 56.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -42.41 115.29 0.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.6 47.81 81.67 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -90.74 179.32 42.93 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.63 -56.84 4.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 0.762 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.44 ' CB ' ' HB3' ' A' ' 19' ' ' PHE . . . -41.58 -58.68 1.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.876 ' HB3' HD12 ' A' ' 36' ' ' LEU . 2.9 p -47.61 -48.41 28.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.158 . . . . 0.0 109.983 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -65.11 -22.17 66.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.249 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 42' ' ' ALA . . . -90.67 15.21 11.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.41 ' HA ' ' NH2' ' A' ' 48' ' ' ARG . 14.6 m-70 62.28 49.63 4.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.602 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.462 HG22 HD11 ' A' ' 84' ' ' LEU . 47.5 t -108.27 98.96 7.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.455 ' NH2' ' O ' ' A' ' 43' ' ' SER . 8.9 mmp_? -87.82 165.65 15.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.338 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 1.9 mt -72.8 129.43 35.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 111.68 -13.46 27.4 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.555 1.159 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -53.76 123.42 12.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.578 0.81 . . . . 0.0 109.281 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.406 ' HA ' ' O ' ' A' ' 31' ' ' LEU . 81.9 t -90.1 127.64 42.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.48 ' CG1' HG13 ' A' ' 56' ' ' ILE . 38.6 t -82.46 105.87 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 37.7 mt -70.25 -47.89 59.36 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 0.0 109.341 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 25.2 m -142.62 162.57 35.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.155 . . . . 0.0 109.992 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.509 ' CD1' ' HB1' ' A' ' 69' ' ' ALA . 35.1 mt -136.76 117.33 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.249 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 81' ' ' ASN . 18.6 t70 61.83 39.28 14.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 77.04 2.04 76.27 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.506 1.129 . . . . 0.0 110.982 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.468 HG13 ' CE ' ' A' ' 72' ' ' LYS . 2.9 mm -96.95 123.53 49.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.519 0.776 . . . . 0.0 109.264 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.1 123.99 21.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 110.001 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -88.19 44.58 1.21 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -99.21 67.23 1.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.334 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 136.35 -39.2 1.68 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.496 1.122 . . . . 0.0 110.978 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 13.1 mtm -43.93 137.48 3.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 0.75 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.437 HG22 ' HB3' ' A' ' 25' ' ' LYS . 68.0 p -83.1 168.38 16.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.341 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -49.01 -49.27 41.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.605 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 1.01 HD13 ' N ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -58.41 -49.52 76.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 1.01 ' N ' HD13 ' A' ' 67' ' ' LEU . 2.7 mt-10 -47.85 -56.98 6.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.509 ' HB1' ' CD1' ' A' ' 56' ' ' ILE . . . -58.6 -43.14 89.44 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -60.9 -40.45 93.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.715 ' ND2' HD21 ' A' ' 67' ' ' LEU . 1.4 m-20 -56.62 -49.19 75.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.587 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 36.2 mmtm -56.91 -52.12 66.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.612 ' HA ' HD11 ' A' ' 80' ' ' LEU . 5.6 mt -48.17 -49.99 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.344 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.09 -26.38 67.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.587 ' HB3' ' O ' ' A' ' 72' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.335 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.612 HD11 ' HA ' ' A' ' 73' ' ' ILE . 9.8 tp -98.05 145.78 26.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.217 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.408 ' O ' ' N ' ' A' ' 57' ' ' ASP . 0.6 OUTLIER -137.1 104.83 5.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.441 ' HE1' HD23 ' A' ' 80' ' ' LEU . 27.3 mtm -135.47 146.37 48.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.1 m -91.82 144.26 25.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.435 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.462 HD11 HG22 ' A' ' 47' ' ' VAL . 62.5 mt -115.77 155.36 27.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -101.68 120.36 40.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 110.323 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 179.985 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 54.2 p -105.65 157.52 17.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 0.754 . . . . 0.0 110.006 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.465 ' CG2' ' N ' ' A' ' 10' ' ' SER . 1.6 p -144.11 164.06 14.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.465 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 33.9 t -137.34 126.01 23.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.028 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.423 ' O ' ' HA ' ' A' ' 79' ' ' SER . 12.5 mt -111.31 154.38 24.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 69.5 t -118.46 107.59 22.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.165 . . . . 0.0 109.302 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -175.3 154.89 19.09 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.477 1.111 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.712 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.96 -6.43 18.07 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.474 1.776 . . . . 0.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.723 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . . . 161.94 -49.87 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.723 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.0 76.16 3.48 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.503 1.791 . . . . 0.0 110.996 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.812 ' NE1' HD22 ' A' ' 80' ' ' LEU . 2.9 m95 -69.73 -24.82 63.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 108.016 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.476 ' CA ' ' HB3' ' A' ' 37' ' ' LYS . . . 104.84 30.1 4.99 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.443 1.089 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.584 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 1.6 p90 -148.98 155.76 41.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 0.754 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -119.96 164.1 16.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.295 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.441 HD23 HD13 ' A' ' 33' ' ' ILE . 77.9 mt -128.69 152.69 48.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -156.25 148.38 23.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 110.251 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.477 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 103.46 -158.52 17.28 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 121.34 -173.35 15.58 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.15 -54.62 19.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 0.773 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -57.67 -18.8 22.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -96.83 -15.03 21.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 35.6 t-20 72.25 36.37 1.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.477 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 4.2 ptm -160.89 165.25 17.59 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.09 . . . . 0.0 110.982 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 155.56 42.95 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.519 1.799 . . . . 0.0 110.982 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.486 HD21 ' HA ' ' A' ' 66' ' ' HIS . 5.0 mt -75.29 110.85 9.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 109.268 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -118.84 166.89 12.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 110.398 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.441 HD13 HD23 ' A' ' 21' ' ' LEU . 26.2 mm -78.24 105.11 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.26 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.5 -61.52 1.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.023 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.571 ' HA ' HD11 ' A' ' 49' ' ' ILE . 0.6 OUTLIER -154.8 175.75 13.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.008 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.861 HD12 ' HB3' ' A' ' 43' ' ' SER . 0.3 OUTLIER -115.16 158.47 22.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.476 ' HB3' ' CA ' ' A' ' 18' ' ' GLY . 3.0 tttt -101.91 137.8 39.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -46.1 117.4 1.53 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 46.18 48.31 15.25 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -86.29 -174.71 49.61 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -73.86 -58.42 3.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 0.0 109.324 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 45' ' ' ALA . . . -39.51 -56.66 1.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.861 ' HB3' HD12 ' A' ' 36' ' ' LEU . 70.1 p -47.59 -48.33 28.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.0 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -63.57 -21.43 66.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.277 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 42' ' ' ALA . . . -88.79 13.45 12.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.267 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 11.7 m-70 60.84 37.79 18.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.596 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.402 HG13 ' OD2' ' A' ' 51' ' ' ASP . 43.1 t -95.15 112.69 28.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.351 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.403 ' O ' ' OD1' ' A' ' 51' ' ' ASP . 5.0 mtm180 -101.31 157.76 16.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.32 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.571 HD11 ' HA ' ' A' ' 35' ' ' SER . 2.2 mt -63.2 131.41 28.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 113.4 -14.89 22.78 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.481 1.113 . . . . 0.0 110.974 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 48' ' ' ARG . 23.4 m-20 -54.45 123.58 13.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 0.802 . . . . 0.0 109.359 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 91.1 t -92.76 130.88 41.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.613 HG11 HD11 ' A' ' 56' ' ' ILE . 45.3 t -82.43 110.56 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 78.2 mt -76.78 -47.74 20.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.6 m -143.52 165.14 28.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.006 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.613 HD11 HG11 ' A' ' 53' ' ' VAL . 15.7 mt -142.96 131.48 20.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 26.1 t0 54.63 27.83 9.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 85.79 3.31 85.98 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.489 1.118 . . . . 0.0 111.035 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.412 ' O ' ' N ' ' A' ' 56' ' ' ILE . 3.7 mm -97.98 125.51 51.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 0.775 . . . . 0.0 109.258 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.5 t -66.77 125.42 25.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.008 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -87.51 44.66 1.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.273 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -103.3 41.27 1.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 155.39 44.13 0.02 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.47 1.106 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 31.4 mtm -133.86 139.99 46.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 0.785 . . . . 0.0 110.934 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 17.3 p -86.26 170.33 12.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.387 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.503 ' O ' ' CG ' ' A' ' 70' ' ' GLN . 3.1 t-160 -49.51 -44.92 46.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.581 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 1.006 HD13 ' N ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -58.34 -51.54 69.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.568 1.168 . . . . 0.0 109.283 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 1.006 ' N ' HD13 ' A' ' 67' ' ' LEU . 1.3 mt-10 -47.74 -64.72 0.71 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.125 . . . . 0.0 110.254 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.586 ' O ' HD12 ' A' ' 73' ' ' ILE . . . -48.74 -50.1 35.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.503 ' CG ' ' O ' ' A' ' 66' ' ' HIS . 6.2 mm-40 -55.57 -44.54 76.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.278 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.689 ' ND2' HD21 ' A' ' 67' ' ' LEU . 1.8 m-20 -53.53 -51.15 63.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.266 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 75' ' ' ALA . 28.8 mmtt -55.78 -58.63 7.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.565 1.166 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.725 ' HA ' HD11 ' A' ' 80' ' ' LEU . 4.2 mt -50.13 -43.38 21.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.348 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.2 mtpt -65.93 -26.39 67.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 72' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.423 ' HA ' ' O ' ' A' ' 11' ' ' LEU . 2.3 p . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.812 HD22 ' NE1' ' A' ' 17' ' ' TRP . 8.4 tp -120.58 116.81 26.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -109.6 105.11 14.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 24.8 mtm -139.1 149.86 45.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 111.018 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.7 m -100.13 145.19 28.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.423 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 59.4 mt -115.26 160.7 19.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.239 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -105.55 122.28 45.69 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.493 1.121 . . . . 0.0 110.26 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.277 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.8 p -106.46 152.08 24.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 0.765 . . . . 0.0 109.996 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.44 HG21 ' HB1' ' A' ' 45' ' ' ALA . 0.4 OUTLIER -120.8 158.17 23.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.405 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 40.2 t -126.95 124.01 38.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.939 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 30.9 mt -115.53 149.15 38.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 75.4 t -117.54 106.55 20.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -173.92 154.71 20.25 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.494 1.121 . . . . 0.0 110.986 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.708 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 18.5 Cg_endo -74.98 -5.63 17.05 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.447 1.761 . . . . 0.0 111.048 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.725 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . . . 161.47 -49.93 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.725 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.05 78.21 2.96 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.501 1.79 . . . . 0.0 110.961 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.636 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 2.5 m95 -72.94 -23.58 60.7 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.463 ' O ' ' N ' ' A' ' 37' ' ' LYS . . . 106.13 28.15 5.35 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.572 ' CD2' ' HB2' ' A' ' 17' ' ' TRP . 2.3 p90 -150.17 152.07 34.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 0.743 . . . . 0.0 111.032 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.497 ' O ' HD23 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -116.55 163.64 15.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.577 1.173 . . . . 0.0 110.289 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.506 ' CD2' HD13 ' A' ' 33' ' ' ILE . 15.8 mt -123.18 149.58 44.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -150.59 152.54 34.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.319 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.481 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 96.1 -163.64 23.32 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.527 1.142 . . . . 0.0 111.033 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 128.81 174.59 13.77 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.9 ttpt -61.86 -29.29 70.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 0.784 . . . . 0.0 109.327 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -80.01 -20.19 46.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -99.93 0.43 41.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 110.999 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.2 m-20 61.35 39.3 15.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.481 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 7.0 ptm -162.81 163.5 17.57 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 111.016 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 158.45 42.53 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.492 1.786 . . . . 0.0 111.06 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.6 mt -75.75 113.42 13.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -123.23 168.62 12.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.391 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.506 HD13 ' CD2' ' A' ' 21' ' ' LEU . 34.2 mm -78.51 102.09 4.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.462 ' HB3' ' CB ' ' A' ' 20' ' ' ARG . 23.1 t -49.46 -64.43 0.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.994 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.492 ' HA ' HD11 ' A' ' 49' ' ' ILE . 0.6 OUTLIER -145.17 173.87 11.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 0.0 109.966 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.672 HD12 ' HB2' ' A' ' 43' ' ' SER . 0.2 OUTLIER -123.18 152.86 40.79 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 18' ' ' GLY . 14.3 tttt -95.84 134.57 38.65 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.77 126.28 15.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 41.66 53.56 4.37 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -100.54 -173.68 29.61 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -71.77 -57.48 4.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 0.739 . . . . 0.0 109.329 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 45' ' ' ALA . . . -39.83 -64.59 0.47 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.672 ' HB2' HD12 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -47.49 -46.67 27.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.954 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -59.89 -24.91 64.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 110.27 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 42' ' ' ALA . . . -86.53 8.81 20.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.254 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.448 ' O ' ' NH1' ' A' ' 48' ' ' ARG . 19.6 m-70 65.51 45.14 2.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.566 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 87.8 t -105.62 108.24 24.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.448 ' NH1' ' O ' ' A' ' 46' ' ' HIS . 0.1 OUTLIER -95.19 157.52 15.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 110.307 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.492 HD11 ' HA ' ' A' ' 35' ' ' SER . 2.5 mt -62.41 135.09 27.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 107.47 -11.41 39.35 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.497 1.123 . . . . 0.0 110.975 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -59.02 128.92 39.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 0.752 . . . . 0.0 109.273 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 83.5 t -94.5 138.3 21.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.455 HG11 ' CG1' ' A' ' 56' ' ' ILE . 28.5 t -91.34 102.53 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 26.4 mt -68.39 -41.74 80.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.8 p -140.57 168.54 19.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.015 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.455 ' CG1' HG11 ' A' ' 53' ' ' VAL . 35.5 mt -142.09 129.03 19.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 81' ' ' ASN . 8.3 t0 53.95 21.85 3.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 87.04 16.6 60.76 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.538 1.149 . . . . 0.0 111.012 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.3 mt -114.8 152.93 16.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 0.78 . . . . 0.0 109.339 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.63 123.48 21.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 110.013 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -93.83 22.31 5.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -88.72 94.57 9.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 122.32 -51.5 0.79 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.462 1.101 . . . . 0.0 111.006 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 33.2 mtm -41.82 133.47 2.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 0.764 . . . . 0.0 110.964 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.9 p -80.16 169.71 17.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.382 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.447 ' NE2' ' C ' ' A' ' 21' ' ' LEU . 3.8 t-160 -45.96 -59.22 2.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.614 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 1.008 HD13 ' N ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -47.21 -54.39 10.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 109.357 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 1.008 ' N ' HD13 ' A' ' 67' ' ' LEU . 1.4 mt-10 -47.69 -58.7 3.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.711 ' O ' HD12 ' A' ' 73' ' ' ILE . . . -52.32 -41.0 62.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -67.73 -37.82 82.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.281 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.705 ' ND2' HD21 ' A' ' 67' ' ' LEU . 1.2 m-20 -59.13 -49.82 76.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 26.0 mmmt -58.17 -52.98 63.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.711 HD12 ' O ' ' A' ' 69' ' ' ALA . 7.7 mt -55.57 -35.97 40.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.251 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -65.06 -46.92 79.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.259 179.982 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.9 p . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.582 ' HB2' ' CH2' ' A' ' 17' ' ' TRP . 15.0 tp -118.84 131.14 56.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.451 ' O ' ' N ' ' A' ' 57' ' ' ASP . 0.7 OUTLIER -126.65 104.86 8.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 25.9 mtm -141.43 151.49 43.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.955 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.9 m -97.71 146.29 25.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.418 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 42.0 mt -116.58 164.48 14.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -116.55 127.41 54.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.358 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.324 179.995 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.2 p -88.57 152.29 21.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 0.746 . . . . 0.0 109.976 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.473 ' CG2' ' N ' ' A' ' 10' ' ' SER . 1.5 p -126.66 164.62 26.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.351 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.473 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 46.8 t -134.23 123.85 24.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.963 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 17.1 mt -113.25 150.46 32.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.33 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.0 p -117.78 106.8 20.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.555 1.159 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -175.16 154.82 19.11 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.451 1.094 . . . . 0.0 111.015 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.71 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.99 -5.71 17.15 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.544 1.813 . . . . 0.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.724 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . . . 161.69 -50.19 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.724 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.01 76.46 3.4 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.454 1.765 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.62 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 2.5 m95 -70.5 -24.52 62.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 108.009 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 104.62 29.65 5.23 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.551 1.157 . . . . 0.0 110.97 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.575 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 1.3 p90 -150.86 145.41 25.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 0.773 . . . . 0.0 110.962 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.9 mtm180 -110.13 169.97 8.38 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.431 1.082 . . . . 0.0 110.264 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.478 ' CD2' HD13 ' A' ' 33' ' ' ILE . 48.3 mt -131.23 148.09 52.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -146.42 142.21 27.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.329 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.475 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 106.49 -163.81 13.53 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.517 1.136 . . . . 0.0 111.016 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 134.41 -171.05 22.4 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.96 -48.3 54.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 0.769 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.462 ' OD1' ' N ' ' A' ' 26' ' ' ASP . 4.5 p-10 -65.11 -22.41 66.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.427 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 7.4 m-85 -87.0 -21.62 26.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.427 ' CB ' ' O ' ' A' ' 27' ' ' PHE . 2.7 t30 77.3 28.42 0.61 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.475 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 3.5 ptm -151.91 165.01 18.38 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.541 1.15 . . . . 0.0 111.013 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 153.69 42.29 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.501 1.79 . . . . 0.0 110.98 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.1 mt -75.62 106.38 7.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.431 HG22 ' O ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -112.67 169.02 9.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 110.412 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.478 HD13 ' CD2' ' A' ' 21' ' ' LEU . 48.6 mm -78.35 100.56 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -47.41 -62.02 1.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.989 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.19 175.11 12.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.997 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.794 HD12 ' HB3' ' A' ' 43' ' ' SER . 0.2 OUTLIER -120.65 167.83 12.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -113.7 139.03 49.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -52.33 120.09 5.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 43.96 52.95 6.63 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.515 1.135 . . . . 0.0 110.982 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -103.89 163.57 15.27 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.88 -57.14 3.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 0.764 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.473 ' CB ' ' HB3' ' A' ' 19' ' ' PHE . . . -43.25 -67.3 0.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.794 ' HB3' HD12 ' A' ' 36' ' ' LEU . 26.8 p -47.55 -48.04 27.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 110.027 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -58.3 -23.73 57.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.099 . . . . 0.0 110.329 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.455 ' HB1' HG21 ' A' ' 9' ' ' VAL . . . -95.14 26.46 3.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.575 1.172 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.417 ' HA ' ' NH2' ' A' ' 48' ' ' ARG . 20.7 m-70 48.31 52.03 14.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.635 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 60.1 t -107.31 98.16 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.417 ' NH2' ' HA ' ' A' ' 46' ' ' HIS . 9.0 mmp_? -86.78 166.06 15.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.115 . . . . 0.0 110.279 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.1 mt -76.92 133.84 30.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 114.86 -13.52 19.95 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.526 1.141 . . . . 0.0 110.998 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.547 ' CG ' HD22 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -56.55 149.14 17.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 0.792 . . . . 0.0 109.312 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.43 ' N ' ' OD1' ' A' ' 51' ' ' ASP . 71.6 t -117.66 115.03 47.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.501 ' CG1' ' O ' ' A' ' 55' ' ' SER . 87.8 t -71.57 100.32 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.402 HD11 ' HB2' ' A' ' 85' ' ' GLN . 82.7 mt -68.29 -40.64 81.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.35 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.501 ' O ' ' CG1' ' A' ' 53' ' ' VAL . 31.9 p -134.28 168.63 18.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.964 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.494 ' CD1' ' HB1' ' A' ' 69' ' ' ALA . 46.3 mt -142.32 99.21 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 109.249 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 81' ' ' ASN . 29.3 t0 65.13 46.53 2.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.9 18.66 74.56 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.561 1.163 . . . . 0.0 110.973 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.6 mm -114.94 142.83 26.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.525 0.779 . . . . 0.0 109.343 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.08 117.75 14.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.115 . . . . 0.0 110.014 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -94.59 31.61 1.75 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -83.61 -57.66 3.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.314 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -105.93 55.31 0.55 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.537 1.148 . . . . 0.0 110.978 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 16.8 mtm -133.05 136.49 45.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 0.747 . . . . 0.0 110.951 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 34.3 p -84.28 160.26 20.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 110.407 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.408 ' CE1' ' O ' ' A' ' 21' ' ' LEU . 3.5 t-160 -44.91 -53.5 7.52 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 109.599 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 15.3 tp -52.89 -59.64 4.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 0.0 109.338 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -47.47 -59.71 3.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.283 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.494 ' HB1' ' CD1' ' A' ' 56' ' ' ILE . . . -51.0 -48.97 61.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.259 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -56.19 -44.45 79.43 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.562 1.163 . . . . 0.0 110.28 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -49.54 -54.39 18.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.407 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 32.1 mmtm -51.61 -58.16 7.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.586 1.179 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.42 ' HA ' HD11 ' A' ' 80' ' ' LEU . 7.1 mt -47.69 -40.68 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.1 mttp -63.92 -40.8 97.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 72' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 0.0 109.274 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.0 p . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.579 ' HB2' ' CH2' ' A' ' 17' ' ' TRP . 11.9 tp -111.62 124.73 52.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.407 ' O ' ' N ' ' A' ' 57' ' ' ASP . 0.8 OUTLIER -119.54 104.84 10.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.34 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 40.2 mtm -138.33 148.38 44.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.2 m -94.74 147.19 23.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.437 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.547 HD22 ' CG ' ' A' ' 51' ' ' ASP . 5.8 mt -118.0 163.8 16.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.402 ' HB2' HD11 ' A' ' 54' ' ' LEU . 19.3 tt0 -115.82 142.89 46.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.6 p -92.27 159.86 15.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 0.781 . . . . 0.0 110.018 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.604 ' CG1' ' HB1' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -121.58 165.65 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.283 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 45.5 t -138.45 114.57 10.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.977 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 39.1 mt -110.82 150.32 29.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 72.3 t -118.09 106.97 20.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.346 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -175.4 156.19 21.64 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.558 1.161 . . . . 0.0 110.99 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.712 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.95 -5.81 17.28 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.488 1.783 . . . . 0.0 111.011 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.722 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . . . 161.67 -50.04 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.722 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -75.02 77.18 3.2 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.503 1.791 . . . . 0.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.614 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 2.3 m95 -71.08 -24.96 62.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 108.022 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.44 ' CA ' ' HB3' ' A' ' 37' ' ' LYS . . . 106.36 28.43 5.18 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.491 1.119 . . . . 0.0 111.031 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.59 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 1.1 p90 -147.91 148.23 30.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.441 0.73 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -113.0 170.98 7.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.133 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.449 ' CD1' HD11 ' A' ' 73' ' ' ILE . 78.8 mt -130.37 155.21 46.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -154.27 151.96 29.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.257 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.499 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 94.61 -157.48 22.4 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.487 1.117 . . . . 0.0 111.015 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 125.51 -170.45 17.41 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.5 mtmt -72.38 -49.27 35.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 0.79 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -64.46 -17.31 63.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -95.25 -15.68 23.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 0.0 111.001 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 70.82 41.46 0.87 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.256 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.499 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 3.5 ptm -164.36 165.75 12.52 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.107 . . . . 0.0 111.024 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 154.55 42.42 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.497 1.788 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.6 mt -75.19 116.14 15.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -123.76 166.24 15.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.387 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.476 HG21 ' CD2' ' A' ' 36' ' ' LEU . 19.7 mm -78.46 103.87 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.15 -63.43 1.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 110.01 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -150.63 176.32 11.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.0 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.535 HD11 ' HB3' ' A' ' 42' ' ' ALA . 0.5 OUTLIER -124.01 163.09 22.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.312 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.44 ' HB3' ' CA ' ' A' ' 18' ' ' GLY . 18.3 tttt -111.38 141.58 44.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -55.75 123.24 13.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 52.04 50.99 42.97 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -102.79 159.03 17.65 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.82 -52.89 36.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 0.785 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.535 ' HB3' HD11 ' A' ' 36' ' ' LEU . . . -46.68 -64.58 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.435 ' N ' HD11 ' A' ' 36' ' ' LEU . 1.7 t -47.84 -47.64 31.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.009 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -61.68 -22.14 65.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.276 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.604 ' HB1' ' CG1' ' A' ' 9' ' ' VAL . . . -92.85 21.2 5.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.421 ' HA ' ' NH2' ' A' ' 48' ' ' ARG . 12.8 m-70 54.31 50.35 16.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.62 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 39.8 t -108.27 98.63 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.421 ' NH2' ' HA ' ' A' ' 46' ' ' HIS . 8.9 mmp_? -87.72 165.59 15.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 22.6 mm -71.57 138.85 20.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.63 -14.11 56.43 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.45 1.094 . . . . 0.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -53.79 127.77 27.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 0.766 . . . . 0.0 109.26 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 73.9 t -94.96 125.63 47.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.464 ' CG1' HG13 ' A' ' 56' ' ' ILE . 26.9 t -83.47 114.08 23.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 22.6 mt -80.44 -34.03 36.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.3 p -145.9 163.44 35.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 110.034 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.636 ' CD1' ' HB1' ' A' ' 69' ' ' ALA . 19.1 mt -140.48 99.14 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 81' ' ' ASN . 2.8 t0 72.76 43.65 0.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.68 13.95 69.33 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.515 1.134 . . . . 0.0 110.95 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.464 HG13 ' CE ' ' A' ' 72' ' ' LYS . 2.7 mm -109.27 143.26 19.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.451 0.736 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.89 119.64 16.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 110.031 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -94.82 25.7 3.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -84.74 -59.52 2.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.253 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -98.68 48.82 1.33 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.497 1.123 . . . . 0.0 110.953 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 19.2 mtm -132.96 139.4 47.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 0.785 . . . . 0.0 111.041 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.0 p -77.61 171.57 14.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.397 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -57.5 -56.76 17.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.607 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 1.037 HD13 ' N ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -49.82 -49.0 50.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.342 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 1.037 ' N ' HD13 ' A' ' 67' ' ' LEU . 51.3 mm-40 -49.09 -65.14 0.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.332 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.636 ' HB1' ' CD1' ' A' ' 56' ' ' ILE . . . -46.17 -40.68 11.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.595 ' HA ' HD12 ' A' ' 73' ' ' ILE . 2.6 mt-30 -67.55 -38.77 84.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 110.317 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.695 ' ND2' HD21 ' A' ' 67' ' ' LEU . 1.3 m-20 -58.7 -48.24 81.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.267 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.688 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 29.4 mmtm -54.48 -48.3 71.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.595 HD12 ' HA ' ' A' ' 70' ' ' GLN . 6.6 mt -50.48 -47.97 26.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.5 -23.89 66.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.359 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.688 ' HB3' ' O ' ' A' ' 72' ' ' LYS . . . . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.583 ' HB2' ' CH2' ' A' ' 17' ' ' TRP . 11.1 tp -108.8 144.82 36.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.427 ' O ' ' N ' ' A' ' 57' ' ' ASP . 0.6 OUTLIER -135.3 104.9 6.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.507 ' O ' HG23 ' A' ' 9' ' ' VAL . 21.3 mtm -136.36 155.48 50.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 111.029 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.1 m -103.77 142.75 33.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.426 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 43.3 mt -114.74 152.52 31.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -95.08 118.6 32.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.258 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.279 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.7 m -90.48 169.21 11.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 0.752 . . . . 0.0 110.017 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.474 HG22 ' N ' ' A' ' 10' ' ' SER . 1.7 p -142.58 165.22 16.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.474 ' N ' HG22 ' A' ' 9' ' ' VAL . 36.8 t -136.06 129.37 31.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.962 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.483 HD13 ' HB3' ' A' ' 17' ' ' TRP . 30.0 mt -116.22 147.24 41.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.2 p -118.61 106.39 19.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.265 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -174.62 156.38 22.88 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.477 1.111 . . . . 0.0 111.015 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.715 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 18.1 Cg_endo -74.99 -4.45 15.43 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.475 1.776 . . . . 0.0 110.99 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.722 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . . . 161.78 -50.07 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.722 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.94 78.51 2.86 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.463 1.77 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.587 ' CZ2' ' HB2' ' A' ' 80' ' ' LEU . 2.8 m95 -71.5 -25.7 62.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 108.013 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.474 ' CA ' ' HB3' ' A' ' 37' ' ' LYS . . . 103.57 30.87 5.1 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.524 1.14 . . . . 0.0 110.99 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.61 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 0.7 OUTLIER -150.2 141.97 23.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 0.779 . . . . 0.0 110.984 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.58 171.0 7.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.45 ' CD2' HD13 ' A' ' 33' ' ' ILE . 40.6 mt -131.54 157.13 44.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -160.67 142.67 12.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.475 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 107.01 -156.76 15.87 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.532 1.145 . . . . 0.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 119.34 -162.44 13.69 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.617 ' HB3' HG22 ' A' ' 65' ' ' THR . 3.2 ttmm -76.04 -49.45 17.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 0.762 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -60.33 -20.33 58.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -100.98 -6.33 24.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 59.92 47.34 10.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.475 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 3.5 ptm -165.97 165.57 10.57 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 110.992 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 154.64 42.61 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.525 1.803 . . . . 0.0 110.996 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.598 HD21 ' HA ' ' A' ' 66' ' ' HIS . 3.7 mt -74.99 115.44 14.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -122.91 167.25 13.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.373 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.45 HD13 ' CD2' ' A' ' 21' ' ' LEU . 50.3 mm -78.38 103.63 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.16 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -47.62 -54.41 11.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.001 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -159.89 175.95 12.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.997 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.861 HD12 ' HB2' ' A' ' 43' ' ' SER . 0.3 OUTLIER -117.3 167.91 10.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.26 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.474 ' HB3' ' CA ' ' A' ' 18' ' ' GLY . 35.3 tttt -117.32 129.78 56.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -41.85 127.58 3.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 38.72 56.4 2.07 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -104.86 160.45 15.38 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.12 -52.35 26.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 0.742 . . . . 0.0 109.286 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.477 ' CB ' ' HB3' ' A' ' 19' ' ' PHE . . . -45.71 -66.43 0.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.861 ' HB2' HD12 ' A' ' 36' ' ' LEU . 12.7 t -47.44 -46.54 26.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.021 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -55.39 -25.45 35.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.323 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 42' ' ' ALA . . . -88.04 11.24 16.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 13.4 m170 64.4 37.98 7.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.577 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.461 HG22 HD11 ' A' ' 84' ' ' LEU . 97.3 t -93.16 114.75 30.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.1 mtm180 -99.43 163.93 12.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 110.337 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.3 mt -69.61 135.91 27.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 105.54 -12.5 47.05 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.535 1.147 . . . . 0.0 110.966 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.424 ' OD2' HD13 ' A' ' 84' ' ' LEU . 34.6 m-20 -55.17 131.43 45.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 0.754 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 79.1 t -97.74 125.79 50.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.478 ' CG1' ' O ' ' A' ' 55' ' ' SER . 71.8 t -80.48 106.38 11.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.44 HD21 ' HB2' ' A' ' 85' ' ' GLN . 54.8 mt -72.38 -38.3 68.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.082 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.478 ' O ' ' CG1' ' A' ' 53' ' ' VAL . 9.4 p -141.29 170.9 14.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.999 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.563 HG22 ' HB3' ' A' ' 72' ' ' LYS . 90.3 mt -144.45 94.17 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.095 . . . . 0.0 109.338 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 75.26 42.06 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 72.89 9.31 75.29 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.3 mm -102.05 141.45 18.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 0.75 . . . . 0.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.02 119.48 14.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.027 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -93.99 24.86 3.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -90.94 82.7 5.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.339 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 131.12 -46.36 1.08 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.522 1.139 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 44.3 mtm -47.03 123.36 5.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 0.753 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.617 HG22 ' HB3' ' A' ' 25' ' ' LYS . 16.1 p -76.23 171.36 14.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 110.387 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.598 ' HA ' HD21 ' A' ' 31' ' ' LEU . 2.4 t-160 -39.95 -59.29 1.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.621 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.966 HD13 ' N ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -48.68 -61.5 2.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.966 ' N ' HD13 ' A' ' 67' ' ' LEU . 2.5 mt-10 -42.19 -53.5 4.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.118 . . . . 0.0 110.279 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.1 -47.28 85.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.441 1.088 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -58.91 -43.57 91.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.271 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.759 ' ND2' HD21 ' A' ' 67' ' ' LEU . 1.5 m-20 -57.15 -46.81 82.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.72 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 14.5 mmmt -53.79 -56.6 16.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.547 HG12 HD21 ' A' ' 80' ' ' LEU . 5.0 mt -46.12 -53.49 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.25 -32.52 16.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.72 ' HB3' ' O ' ' A' ' 72' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.1 p . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.587 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 13.7 tp -117.47 128.17 54.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.402 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.9 OUTLIER -122.18 105.14 9.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.567 ' SD ' HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -128.11 165.69 19.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.2 m -114.45 146.95 40.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.394 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.461 HD11 HG22 ' A' ' 47' ' ' VAL . 39.1 mt -116.38 163.48 15.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.44 ' HB2' HD21 ' A' ' 54' ' ' LEU . 33.9 tt0 -110.82 123.68 50.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.332 179.979 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.3 t -99.55 161.69 13.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 0.741 . . . . 0.0 109.964 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.505 HG22 ' N ' ' A' ' 10' ' ' SER . 2.4 p -129.73 166.34 27.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.505 ' N ' HG22 ' A' ' 9' ' ' VAL . 42.8 t -138.24 119.06 14.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.997 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 20.7 mt -108.68 149.41 29.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.426 ' O ' HG13 ' A' ' 12' ' ' VAL . 7.6 p -116.65 106.21 19.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -176.68 155.59 18.9 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.524 1.14 . . . . 0.0 111.021 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.713 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -74.97 -6.0 17.51 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.524 1.802 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.713 ' HB2' ' O ' ' A' ' 14' ' ' PRO . . . 161.37 -49.71 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.71 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.96 76.63 3.33 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.491 1.785 . . . . 0.0 111.008 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.625 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 2.6 m95 -70.86 -24.36 62.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 107.986 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.642 ' O ' HD13 ' A' ' 36' ' ' LEU . . . 105.02 24.75 7.09 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.44 1.088 . . . . 0.0 111.026 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.589 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 1.0 OUTLIER -144.76 153.07 41.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 0.745 . . . . 0.0 111.03 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -117.67 175.62 5.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.264 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.413 ' O ' ' CE1' ' A' ' 66' ' ' HIS . 50.5 mt -136.53 147.51 47.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -143.5 148.64 36.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.247 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.479 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 105.64 -161.34 14.58 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 28' ' ' ASN . . . 127.36 166.31 12.08 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.64 -42.29 64.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 0.784 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -64.48 -31.46 72.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.313 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -86.72 -17.73 32.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 111.0 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 24' ' ' GLY . 4.9 t-20 73.12 42.48 0.44 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.479 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 4.1 ptm -161.29 164.77 18.01 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 156.37 42.95 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.517 1.799 . . . . 0.0 111.013 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.401 ' O ' ' HA ' ' A' ' 52' ' ' VAL . 4.1 mt -75.38 111.05 10.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -117.51 168.73 10.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.397 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.631 HG21 ' CD2' ' A' ' 36' ' ' LEU . 19.7 mm -78.41 102.26 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.244 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.47 -59.99 3.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.992 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -151.82 176.68 11.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 110.017 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.957 HD11 ' HB3' ' A' ' 42' ' ' ALA . 0.2 OUTLIER -133.87 147.89 51.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 109.344 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.93 133.3 35.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -44.43 119.01 1.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 58.79 43.4 96.54 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.525 1.14 . . . . 0.0 110.965 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -91.17 159.05 26.1 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 45' ' ' ALA . 0.1 OUTLIER -46.69 -64.84 0.67 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 0.776 . . . . 0.0 109.271 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.957 ' HB3' HD11 ' A' ' 36' ' ' LEU . . . -42.9 -49.34 5.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.5 t -55.59 -39.92 71.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.994 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 41' ' ' LYS . 0.5 OUTLIER -82.67 -14.26 54.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.261 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.478 ' HB1' HG21 ' A' ' 9' ' ' VAL . . . -88.13 12.91 12.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 29.4 m-70 66.6 34.08 6.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.589 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 96.2 t -96.65 110.33 24.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.7 mtm180 -101.53 133.86 45.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.325 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.1 mt -42.16 134.61 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 108.14 -15.05 36.69 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.48 1.113 . . . . 0.0 110.993 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -56.81 127.77 33.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.769 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.401 ' HA ' ' O ' ' A' ' 31' ' ' LEU . 72.5 t -93.24 133.18 35.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.415 HG11 ' CG1' ' A' ' 56' ' ' ILE . 22.6 t -86.01 102.21 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.092 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.538 HD21 ' HB2' ' A' ' 85' ' ' GLN . 41.5 mt -69.23 -41.22 77.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 2.2 p -139.22 166.35 24.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 110.003 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.505 HG22 ' HB3' ' A' ' 72' ' ' LYS . 74.2 mt -140.44 109.9 3.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 81' ' ' ASN . 1.1 t70 62.38 35.56 14.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 0.0 109.299 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 79.28 15.19 80.6 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.444 1.09 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.407 ' O ' ' HA ' ' A' ' 55' ' ' SER . 2.4 mm -108.97 139.52 31.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.476 0.75 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.04 124.12 22.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.979 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -97.87 29.11 3.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.341 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.88 43.44 1.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 110.28 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 157.53 44.67 0.02 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.482 1.113 . . . . 0.0 110.981 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 23.1 mtm -133.63 133.55 42.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 0.781 . . . . 0.0 111.034 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 55.5 p -79.41 161.02 26.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 110.394 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.413 ' CE1' ' O ' ' A' ' 21' ' ' LEU . 1.8 t-160 -46.96 -58.61 3.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.586 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 11.0 tp -46.72 -53.97 10.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.337 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -55.83 -58.4 8.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.283 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.436 ' O ' HD12 ' A' ' 73' ' ' ILE . . . -50.9 -48.55 60.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.165 . . . . 0.0 109.319 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -55.91 -43.99 77.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.274 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.72 -50.41 72.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.619 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 22.4 mmtm -46.58 -59.29 3.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.595 ' HA ' HD11 ' A' ' 80' ' ' LEU . 3.0 mt -42.85 -50.32 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.449 1.093 . . . . 0.0 109.353 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.09 -41.64 48.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.619 ' HB3' ' O ' ' A' ' 72' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.3 p . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.595 HD11 ' HA ' ' A' ' 73' ' ' ILE . 10.0 tp -105.87 137.87 43.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 57' ' ' ASP . 0.6 OUTLIER -129.91 104.64 7.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 33.5 mtm -140.71 147.09 38.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.157 . . . . 0.0 111.009 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.401 ' O ' HD23 ' A' ' 84' ' ' LEU . 7.0 m -93.95 149.62 21.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.403 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.401 HD23 ' O ' ' A' ' 83' ' ' THR . 48.1 mt -117.63 163.38 16.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.538 ' HB2' HD21 ' A' ' 54' ' ' LEU . 27.0 tt0 -112.39 150.58 30.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.9 p -101.95 141.49 34.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 0.772 . . . . 0.0 109.987 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -155.93 160.09 39.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.01 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.55 97.79 0.17 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.522 1.139 . . . . 0.0 110.97 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.74 154.74 41.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 0.754 . . . . 0.0 110.012 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.5 p -43.75 161.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.989 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.37 140.68 3.12 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.56 1.163 . . . . 0.0 110.984 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 43.8 t -93.57 162.92 13.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 0.742 . . . . 0.0 110.017 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.455 ' CG2' ' N ' ' A' ' 10' ' ' SER . 0.8 OUTLIER -138.5 162.66 29.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.455 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 39.4 t -131.94 136.42 47.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.017 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.481 ' HB2' ' CE3' ' A' ' 17' ' ' TRP . 7.0 mt -120.3 153.38 36.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.444 ' O ' HG13 ' A' ' 12' ' ' VAL . 7.4 p -117.56 106.61 20.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -178.05 153.56 13.31 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.462 1.101 . . . . 0.0 110.981 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.709 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 18.1 Cg_endo -75.01 -6.19 17.73 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.491 1.785 . . . . 0.0 110.997 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.72 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . . . 161.94 -50.36 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.72 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.01 77.41 3.14 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.538 1.81 . . . . 0.0 110.975 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.63 ' CZ2' HD13 ' A' ' 80' ' ' LEU . 1.8 m95 -71.02 -24.04 62.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 108.021 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.58 -16.07 24.16 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.522 1.138 . . . . 0.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.521 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 1.2 p90 -105.28 156.81 17.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 0.779 . . . . 0.0 111.01 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.437 ' O ' HD23 ' A' ' 21' ' ' LEU . 4.8 mmt180 -122.29 174.09 7.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.293 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.667 HD11 HD11 ' A' ' 73' ' ' ILE . 15.2 mt -122.64 145.92 47.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -146.1 136.88 24.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.486 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 106.61 -158.32 15.37 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.526 1.141 . . . . 0.0 110.999 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 124.99 174.81 14.06 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.1 -44.43 96.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 0.742 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -63.75 -22.96 67.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.464 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 11.2 m-85 -92.73 -20.29 20.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.998 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.464 ' CB ' ' O ' ' A' ' 27' ' ' PHE . 9.6 t-20 80.46 33.12 0.16 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.486 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 4.1 ptm -156.4 164.76 20.39 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 111.004 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 156.78 42.9 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.499 1.789 . . . . 0.0 110.983 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.4 mt -75.25 115.75 15.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -123.88 170.44 10.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 110.399 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 21.2 mm -78.58 100.92 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.5 t -53.16 -67.15 0.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.015 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.425 ' HA ' HD11 ' A' ' 49' ' ' ILE . 0.6 OUTLIER -145.09 177.59 8.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.992 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.917 HD21 ' HB3' ' A' ' 42' ' ' ALA . 0.3 OUTLIER -148.28 161.17 42.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.2 tttp -95.71 159.51 14.95 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -55.01 119.67 5.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 40.47 53.59 3.49 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.501 1.126 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -89.25 175.2 42.65 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.9 -64.03 0.79 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 0.752 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.917 ' HB3' HD21 ' A' ' 36' ' ' LEU . . . -45.29 -46.38 12.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 18.3 t -62.85 -41.04 99.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.975 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -64.06 -22.27 66.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 110.293 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -93.77 10.78 31.63 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 9.8 m170 62.01 51.44 3.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.436 1.085 . . . . 0.0 109.589 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.61 HG13 ' OD2' ' A' ' 51' ' ' ASP . 76.7 t -105.77 117.95 52.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 -102.43 157.86 16.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.305 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.425 HD11 ' HA ' ' A' ' 35' ' ' SER . 2.2 mt -65.21 130.21 30.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 116.41 -15.85 14.92 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.543 1.152 . . . . 0.0 110.953 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.61 ' OD2' HG13 ' A' ' 47' ' ' VAL . 93.2 m-20 -57.99 129.13 40.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 0.773 . . . . 0.0 109.271 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 71.1 t -95.62 131.54 42.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.449 HG11 ' CG1' ' A' ' 56' ' ' ILE . 37.1 t -85.62 107.71 16.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 52.8 mt -74.17 -31.77 62.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.437 ' O ' ' CG1' ' A' ' 53' ' ' VAL . 1.8 p -146.03 158.6 43.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.039 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.757 ' CD1' ' HB1' ' A' ' 69' ' ' ALA . 11.5 mt -133.91 106.15 8.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.165 . . . . 0.0 109.297 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 81' ' ' ASN . 24.4 t0 68.04 37.01 3.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.122 . . . . 0.0 109.344 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 80.61 -2.12 79.91 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.545 1.153 . . . . 0.0 111.058 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.5 mm -94.72 152.43 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.518 0.775 . . . . 0.0 109.346 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.36 121.64 25.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.999 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -98.81 36.52 1.66 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -87.68 -51.49 5.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.335 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -109.03 47.84 1.0 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.552 1.157 . . . . 0.0 110.978 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 14.0 mtm -128.46 130.94 48.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 0.766 . . . . 0.0 111.001 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.3 p -73.63 171.38 13.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 110.409 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -53.69 -53.38 52.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.647 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 1.01 HD13 ' N ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -53.08 -48.02 68.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 1.01 ' N ' HD13 ' A' ' 67' ' ' LEU . 0.9 OUTLIER -49.81 -68.37 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 110.291 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.757 ' HB1' ' CD1' ' A' ' 56' ' ' ILE . . . -45.33 -38.36 5.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -68.15 -37.79 81.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 110.322 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.666 ' ND2' HD21 ' A' ' 67' ' ' LEU . 1.7 m-20 -59.9 -48.26 82.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.52 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 35.3 mmtt -58.96 -53.57 56.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.239 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.667 HD11 HD11 ' A' ' 21' ' ' LEU . 17.1 mt -48.86 -44.01 14.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.118 . . . . 0.0 109.286 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -63.22 -33.99 76.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' A' ' 72' ' ' LYS . . . -61.82 -44.22 97.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.45 ' HB2' ' CD1' ' A' ' 80' ' ' LEU . 1.7 m -69.49 128.54 36.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 108.325 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.426 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 41.7 p -120.05 -41.53 2.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.38 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -73.37 -68.87 1.49 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.534 1.146 . . . . 0.0 110.994 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.6 p -137.79 162.15 34.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 0.773 . . . . 0.0 109.977 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.63 HD13 ' CZ2' ' A' ' 17' ' ' TRP . 8.9 tp -113.41 118.94 35.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 57' ' ' ASP . 1.3 m-80 -110.04 104.89 13.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.469 ' HE1' ' CZ ' ' A' ' 19' ' ' PHE . 33.7 mtm -134.73 159.6 40.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 111.017 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.8 m -109.9 147.48 33.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 110.428 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 40.0 mt -113.43 166.17 11.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.086 . . . . 0.0 109.362 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -114.2 131.45 56.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.295 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.5 152.83 35.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.345 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -147.5 106.93 3.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.3 m 41.63 -162.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.02 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -81.97 138.94 34.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.147 . . . . 0.0 109.343 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -108.74 72.86 0.84 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.424 1.077 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -168.2 132.46 1.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.66 144.31 50.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -128.43 127.38 42.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.01 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -99.36 118.66 61.98 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 143.48 29.03 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.516 1.798 . . . . 0.0 111.036 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.6 p -84.6 146.56 6.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.128 . . . . 0.0 109.276 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.8 m -119.42 147.28 44.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.954 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -158.31 159.07 35.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 110.031 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -131.78 157.09 22.23 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.504 1.127 . . . . 0.0 110.989 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 177.15 8.98 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.523 1.802 . . . . 0.0 110.97 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -121.14 149.03 43.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.958 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 48.5 p -83.68 145.36 28.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 110.024 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.454 1.096 . . . . 0.0 111.003 -179.967 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.35 161.13 25.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 0.764 . . . . 0.0 110.009 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.77 99.81 7.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.032 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.92 -119.52 1.95 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.15 -69.03 0.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 0.795 . . . . 0.0 110.0 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 p 54.13 170.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.995 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.1 146.76 4.4 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.541 1.151 . . . . 0.0 110.979 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 82.9 p -93.76 166.74 12.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 0.774 . . . . 0.0 109.993 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.411 ' CG2' ' N ' ' A' ' 10' ' ' SER . 0.5 OUTLIER -143.67 159.31 16.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.411 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 48.2 t -134.26 124.03 25.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 110.001 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 52.5 mt -110.52 148.96 31.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.9 p -115.75 106.57 20.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -174.99 156.59 22.88 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.529 1.143 . . . . 0.0 110.981 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.703 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -75.0 -6.03 17.55 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.463 1.77 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.735 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . . . 162.14 -50.38 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.735 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.99 78.35 2.91 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.519 1.8 . . . . 0.0 111.035 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.624 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 1.8 m95 -72.38 -25.05 61.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 107.989 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.468 ' CA ' ' HB3' ' A' ' 37' ' ' LYS . . . 106.85 27.28 5.48 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.596 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 0.9 OUTLIER -147.67 150.48 34.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 110.959 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.402 ' CB ' ' OG ' ' A' ' 34' ' ' SER . 5.2 mtt180 -116.91 171.72 7.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.309 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.449 ' O ' ' CE1' ' A' ' 66' ' ' HIS . 80.8 mt -130.19 153.75 48.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.553 1.158 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -154.56 144.05 21.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.28 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.473 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 107.2 -160.27 14.22 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.52 1.138 . . . . 0.0 110.951 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 127.49 -179.37 16.47 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.9 ttpp -70.77 -27.57 64.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 0.768 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -76.0 -24.33 55.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.437 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 9.8 m-85 -97.43 -17.61 19.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.972 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.437 ' CB ' ' O ' ' A' ' 27' ' ' PHE . 2.4 t-20 77.12 44.57 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.473 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 4.1 ptm -162.9 164.48 16.22 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 111.043 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 156.64 43.03 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.45 1.763 . . . . 0.0 111.035 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 mt -75.5 110.25 9.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -116.23 168.01 10.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.393 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.456 HG21 HD23 ' A' ' 36' ' ' LEU . 24.8 mm -78.56 99.25 2.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.417 ' HB3' ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -43.95 -56.51 3.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 109.99 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.08 177.12 11.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 110.069 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.755 HD12 ' HB3' ' A' ' 43' ' ' SER . 0.2 OUTLIER -121.67 167.72 12.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.25 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.468 ' HB3' ' CA ' ' A' ' 18' ' ' GLY . 8.7 tttp -116.01 137.76 51.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.13 126.13 13.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 42.0 56.64 3.78 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.536 1.147 . . . . 0.0 111.009 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -105.95 161.61 14.32 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.52 -48.8 56.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 0.785 . . . . 0.0 109.35 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.465 ' CB ' ' HB3' ' A' ' 19' ' ' PHE . . . -48.99 -65.46 0.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.755 ' HB3' HD12 ' A' ' 36' ' ' LEU . 14.2 p -47.04 -47.21 22.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.008 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -55.45 -27.28 47.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 110.299 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 42' ' ' ALA . . . -87.48 11.05 15.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 63.78 43.18 5.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.571 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.412 HG23 ' HB3' ' A' ' 45' ' ' ALA . 61.1 t -96.57 113.93 32.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.3 mtm180 -102.59 164.42 11.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.2 mt -70.69 134.56 29.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.333 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 108.15 -17.09 35.11 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -54.43 127.72 28.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 0.768 . . . . 0.0 109.335 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 73.3 t -94.7 132.97 37.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.573 1.171 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.499 HG11 ' CG1' ' A' ' 56' ' ' ILE . 47.1 t -87.82 108.16 18.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.253 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.539 HD21 ' HB2' ' A' ' 85' ' ' GLN . 20.4 mt -73.79 -36.44 65.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.449 ' O ' ' CG1' ' A' ' 53' ' ' VAL . 4.8 p -143.85 167.89 21.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.025 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.561 ' CD1' ' HB1' ' A' ' 69' ' ' ALA . 54.4 mt -143.06 96.27 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 81' ' ' ASN . 11.1 t0 71.31 44.51 0.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 73.75 1.93 59.77 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.451 1.094 . . . . 0.0 111.002 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.569 HG21 ' HE2' ' A' ' 72' ' ' LYS . 16.8 mm -92.87 140.44 16.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 0.756 . . . . 0.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.27 117.34 14.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.992 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -92.67 31.13 1.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -93.5 92.11 7.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 110.278 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 92.54 39.09 5.4 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -110.06 136.04 49.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 0.764 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.1 p -75.65 156.65 34.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.413 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.449 ' CE1' ' O ' ' A' ' 21' ' ' LEU . 2.0 t-160 -50.13 -51.66 41.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.619 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.4 tp -50.97 -53.14 35.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -49.22 -70.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 110.315 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.561 ' HB1' ' CD1' ' A' ' 56' ' ' ILE . . . -43.32 -49.71 6.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.444 ' HA ' HD12 ' A' ' 73' ' ' ILE . 14.4 mm100 -54.44 -44.97 72.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -53.58 -47.0 70.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.097 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.569 ' HE2' HG21 ' A' ' 59' ' ' ILE . 40.0 mmtm -56.55 -44.95 81.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.597 HG12 HD21 ' A' ' 80' ' ' LEU . 4.8 mt -59.56 -29.21 41.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.1 mttp -79.23 -15.38 58.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -94.47 14.14 21.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.325 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.413 ' SG ' ' O ' ' A' ' 76' ' ' CYS . 27.2 p -67.37 95.52 0.45 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.451 1.094 . . . . 0.0 108.321 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 6.8 t -52.74 -25.39 11.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.387 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -172.63 -58.07 0.05 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.0 p -110.17 164.75 12.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 0.742 . . . . 0.0 110.064 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.597 HD21 HG12 ' A' ' 73' ' ' ILE . 11.0 tp -116.03 116.37 27.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.098 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.406 ' O ' ' N ' ' A' ' 57' ' ' ASP . 1.2 m-80 -109.9 104.71 13.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 41.2 mtm -133.32 162.18 32.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.8 m -112.57 146.22 38.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.43 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 28.7 mt -113.37 166.91 11.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.539 ' HB2' HD21 ' A' ' 54' ' ' LEU . 0.3 OUTLIER -116.22 139.64 50.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 110.266 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.427 ' N ' ' HG2' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -76.42 150.47 36.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 110.276 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -125.41 104.2 8.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.3 t -115.15 154.39 29.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.017 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . 63.0 69.07 0.6 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -152.06 73.57 1.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.277 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -152.64 113.38 4.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.51 -14.66 60.01 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 94.0 p -115.92 136.78 52.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.998 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -105.78 149.95 38.58 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 105.36 2.07 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.474 1.776 . . . . 0.0 110.97 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 76.7 t -93.82 124.72 46.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 63.4 m -75.57 157.84 33.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.05 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.0 t -158.62 112.82 2.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.984 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -47.93 104.86 0.09 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.549 1.156 . . . . 0.0 111.023 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 177.43 8.6 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.478 1.778 . . . . 0.0 110.967 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.02 151.98 40.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.03 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 87.4 p -105.24 149.32 26.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.023 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 -179.995 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 69.37 85.29 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 0.763 . . . . 0.0 110.035 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.7 p -170.08 124.29 0.74 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.028 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.86 162.21 34.96 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.466 1.103 . . . . 0.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.7 t -173.62 -59.22 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 0.801 . . . . 0.0 109.984 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.1 t 62.37 167.02 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.99 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.87 131.77 2.39 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.0 m -90.29 156.35 18.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 0.765 . . . . 0.0 109.977 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.543 ' CG2' ' HB1' ' A' ' 45' ' ' ALA . 1.7 p -130.85 165.63 30.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.482 ' N ' HG22 ' A' ' 9' ' ' VAL . 46.5 t -138.03 122.41 18.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.997 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.444 HD12 ' HE2' ' A' ' 19' ' ' PHE . 32.1 mt -111.27 150.29 29.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 76.7 t -117.31 106.86 20.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -175.3 154.83 18.94 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.507 1.13 . . . . 0.0 110.996 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.719 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 18.0 Cg_endo -75.08 -5.27 16.55 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.464 1.771 . . . . 0.0 110.974 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.73 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . . . 161.52 -50.19 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.73 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -74.99 76.88 3.27 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.52 1.8 . . . . 0.0 110.961 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.606 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 2.7 m95 -70.59 -24.83 62.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 108.018 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.445 ' CA ' ' HB3' ' A' ' 37' ' ' LYS . . . 103.93 30.15 5.25 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.512 1.132 . . . . 0.0 111.002 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.58 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 1.2 p90 -151.69 149.76 29.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 0.756 . . . . 0.0 111.048 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.42 ' O ' HD23 ' A' ' 21' ' ' LEU . 6.4 mmt85 -112.09 175.37 5.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.516 ' O ' ' CE1' ' A' ' 66' ' ' HIS . 64.3 mt -137.38 145.25 43.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.0 pt20 -146.01 150.91 36.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.331 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.473 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 101.61 -159.86 18.29 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 122.34 -175.97 16.44 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.69 -44.68 89.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 0.782 . . . . 0.0 109.351 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -63.82 -24.31 67.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -96.33 -3.58 43.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.4 m120 61.81 36.08 16.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.324 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.473 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 3.6 ptm -157.0 164.17 22.6 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 156.53 43.28 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.454 1.765 . . . . 0.0 111.038 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 mt -75.32 114.99 14.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -123.24 168.4 12.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 110.439 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.61 HG21 ' CD2' ' A' ' 36' ' ' LEU . 50.1 mm -78.16 98.49 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.7 t -48.49 -62.37 1.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.994 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -145.59 173.66 11.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.997 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.839 HD12 ' HB2' ' A' ' 43' ' ' SER . 0.4 OUTLIER -121.28 168.35 11.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 109.263 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.445 ' HB3' ' CA ' ' A' ' 18' ' ' GLY . 13.9 tttp -116.65 137.66 52.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.36 125.13 13.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 43.88 53.69 6.25 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.565 1.165 . . . . 0.0 110.993 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -104.89 153.7 17.36 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -42.92 -57.27 2.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 0.78 . . . . 0.0 109.258 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.529 ' HB2' ' HD2' ' A' ' 19' ' ' PHE . . . -42.42 -68.01 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.346 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.839 ' HB2' HD12 ' A' ' 36' ' ' LEU . 1.9 t -47.94 -48.65 31.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.0 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -61.48 -20.86 63.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.323 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.543 ' HB1' ' CG2' ' A' ' 9' ' ' VAL . . . -94.2 20.76 7.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.411 ' HA ' ' NH2' ' A' ' 48' ' ' ARG . 21.7 m-70 58.35 50.66 9.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.102 . . . . 0.0 109.556 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.454 HG12 HD21 ' A' ' 36' ' ' LEU . 36.3 t -108.41 99.18 8.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.457 ' NH2' ' O ' ' A' ' 43' ' ' SER . 8.9 mmp_? -89.73 166.85 13.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.305 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.2 mt -75.23 134.85 28.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 106.1 -14.47 44.33 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.458 1.099 . . . . 0.0 110.99 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -56.21 123.99 16.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 0.771 . . . . 0.0 109.274 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 79.7 t -90.29 135.17 27.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.276 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.445 HG11 ' CG1' ' A' ' 56' ' ' ILE . 67.6 t -89.22 99.81 9.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.536 HD12 ' O ' ' A' ' 84' ' ' LEU . 23.4 mt -62.82 -47.09 84.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.8 p -137.31 173.79 11.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.019 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.445 ' CG1' HG11 ' A' ' 53' ' ' VAL . 91.8 mt -144.76 85.93 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 81' ' ' ASN . 11.8 t0 74.06 56.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.336 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 63.86 11.41 43.66 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.477 1.111 . . . . 0.0 111.026 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.4 mm -107.7 136.68 42.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 0.761 . . . . 0.0 109.26 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.39 127.48 32.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.019 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -103.24 25.91 8.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.345 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -83.06 -48.48 10.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.324 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -109.67 48.57 0.92 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.526 1.141 . . . . 0.0 111.016 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 10.9 mtm -130.97 134.99 47.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 0.749 . . . . 0.0 111.0 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 74.5 p -84.23 164.98 18.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.394 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.516 ' CE1' ' O ' ' A' ' 21' ' ' LEU . 2.0 t-160 -45.75 -52.05 11.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.638 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 21.3 tp -56.15 -52.98 62.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.137 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -50.59 -56.72 10.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.01 -49.11 76.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -56.11 -43.86 78.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 110.264 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -51.2 -52.86 40.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.544 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 0.8 OUTLIER -50.21 -62.1 1.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 4.2 mt -46.12 -52.61 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.326 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt -50.44 -37.57 38.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.544 ' HB3' ' O ' ' A' ' 72' ' ' LYS . . . -65.21 -38.51 90.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 88.2 m -60.23 105.48 0.42 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 108.266 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.591 HG23 ' O ' ' A' ' 77' ' ' THR . 7.0 t -115.24 91.31 3.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 110.395 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 134.11 -58.91 0.68 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 p -137.68 156.31 48.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 0.777 . . . . 0.0 110.039 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.58 ' HB2' ' CH2' ' A' ' 17' ' ' TRP . 23.3 tp -116.16 142.54 46.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 57' ' ' ASP . 0.6 OUTLIER -135.62 107.31 6.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.408 ' CE ' HD21 ' A' ' 80' ' ' LEU . 46.5 mtm -146.08 148.28 32.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.42 1.075 . . . . 0.0 111.039 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.1 m -95.67 147.18 23.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.447 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.536 ' O ' HD12 ' A' ' 54' ' ' LEU . 53.3 mt -115.89 165.68 12.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 109.35 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -115.28 125.84 53.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.271 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -76.51 123.89 26.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 110.329 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -133.83 76.68 1.67 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.341 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.01 83.27 2.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 109.991 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -164.44 144.72 7.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.31 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -171.58 68.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.258 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -138.69 179.57 6.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 18.0 mmmt -108.17 167.89 9.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.58 1.175 . . . . 0.0 109.339 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.0 m -110.31 112.74 24.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.065 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -80.35 151.03 71.78 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 110.245 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 105.75 2.14 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.514 1.797 . . . . 0.0 110.977 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 68.1 t -78.91 117.92 25.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -109.1 127.33 54.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.02 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.7 t -48.36 106.87 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.99 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -123.66 -151.83 8.31 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.473 1.108 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 58.43 4.87 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.468 1.773 . . . . 0.0 111.016 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.94 112.47 25.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.967 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.67 110.52 21.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 110.009 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.507 1.129 . . . . 0.0 110.957 -179.977 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 t -120.96 121.75 38.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 0.741 . . . . 0.0 109.953 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.9 m -67.64 157.67 33.96 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 110.029 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.44 -124.31 1.91 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.549 1.155 . . . . 0.0 110.979 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.402 ' O ' ' NH1' ' A' ' 86' ' ' ARG . 2.1 m -118.97 -57.7 2.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 0.764 . . . . 0.0 110.02 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.19 -89.6 0.43 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.969 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.12 126.34 1.3 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.501 1.125 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.3 p -96.09 154.56 17.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 0.792 . . . . 0.0 109.981 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.47 ' CG2' ' N ' ' A' ' 10' ' ' SER . 0.7 OUTLIER -122.47 162.78 21.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.47 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 47.6 t -132.94 116.03 15.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.014 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.407 ' HB2' ' CE3' ' A' ' 17' ' ' TRP . 12.1 mt -104.34 149.59 25.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.142 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.5 p -117.17 107.13 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -175.35 155.85 21.02 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.539 1.149 . . . . 0.0 110.984 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.712 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.01 -6.28 17.86 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.512 1.796 . . . . 0.0 110.986 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.73 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . . . 162.07 -50.29 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.73 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.99 76.22 3.46 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.566 1.824 . . . . 0.0 111.05 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.618 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 2.3 m95 -69.87 -25.38 63.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 108.06 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.473 ' CA ' ' HB3' ' A' ' 37' ' ' LYS . . . 106.08 27.96 5.43 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.596 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 1.1 p90 -147.93 145.32 28.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 0.793 . . . . 0.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.9 mmt180 -108.64 173.23 6.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.318 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.496 HD23 HD13 ' A' ' 33' ' ' ILE . 94.4 mt -131.41 157.17 44.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -157.66 149.69 22.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.467 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 99.74 -159.68 19.64 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 125.06 -168.24 17.2 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.611 ' HB3' HG22 ' A' ' 65' ' ' THR . 0.2 OUTLIER -70.75 -54.41 11.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 0.755 . . . . 0.0 109.324 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -59.53 -17.58 33.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -96.51 -16.03 21.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 67.65 41.44 2.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.467 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 3.8 ptm -161.86 165.14 16.68 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 156.65 42.8 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.505 1.792 . . . . 0.0 110.992 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.7 mt -75.16 117.54 17.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -125.84 167.76 14.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.403 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.496 HD13 HD23 ' A' ' 21' ' ' LEU . 37.6 mm -78.68 103.77 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.415 ' HB3' ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -47.65 -59.45 3.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.963 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.97 176.45 12.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.085 . . . . 0.0 110.05 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.819 HD12 ' HB3' ' A' ' 43' ' ' SER . 0.2 OUTLIER -120.45 153.0 37.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.473 ' HB3' ' CA ' ' A' ' 18' ' ' GLY . 0.0 OUTLIER -100.52 138.72 37.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -48.64 123.73 7.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 41.7 55.63 3.87 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.464 1.102 . . . . 0.0 111.04 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -103.37 163.04 15.7 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.67 -52.59 13.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 0.789 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.508 ' HB2' ' HB3' ' A' ' 19' ' ' PHE . . . -46.77 -64.0 0.88 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.819 ' HB3' HD12 ' A' ' 36' ' ' LEU . 83.3 p -47.26 -48.3 24.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.983 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -56.98 -24.07 50.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 110.286 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 42' ' ' ALA . . . -91.5 18.9 6.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 53.03 38.96 28.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.6 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 23.0 t -90.47 115.6 30.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 5.2 mtm180 -99.35 155.05 17.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 28.4 mm -63.57 141.53 18.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.137 . . . . 0.0 109.323 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 101.79 -13.14 57.87 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.506 1.129 . . . . 0.0 111.045 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -55.96 126.85 27.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 0.786 . . . . 0.0 109.277 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 71.1 t -93.96 133.59 34.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.474 ' CG1' ' O ' ' A' ' 55' ' ' SER . 64.4 t -87.44 103.8 13.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 61.7 mt -70.84 -40.97 72.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.322 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.474 ' O ' ' CG1' ' A' ' 53' ' ' VAL . 12.7 p -135.85 170.31 16.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.987 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.468 ' CG1' HG11 ' A' ' 53' ' ' VAL . 63.5 mt -145.36 120.62 3.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 81' ' ' ASN . 43.1 t0 59.3 27.54 16.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 83.13 7.86 86.35 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.495 1.122 . . . . 0.0 110.961 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.2 mt -106.01 154.82 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 0.789 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.8 t -68.83 123.82 22.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 110.003 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -106.58 34.05 3.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -99.83 81.16 2.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.326 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 135.54 -47.3 0.99 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.518 1.136 . . . . 0.0 111.037 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 30.8 mtm -39.58 127.96 1.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 0.747 . . . . 0.0 111.003 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.611 HG22 ' HB3' ' A' ' 25' ' ' LYS . 69.3 p -71.88 171.17 12.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.414 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -52.2 -59.78 3.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.556 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.9 tp -49.72 -54.95 15.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.25 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -50.28 -59.06 4.33 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 0.0 110.255 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.421 ' O ' HD12 ' A' ' 73' ' ' ILE . . . -51.66 -51.28 57.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.26 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -53.48 -44.64 69.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -50.8 -53.29 33.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.5 mmmm -51.25 -62.1 1.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.429 ' HA ' HD11 ' A' ' 80' ' ' LEU . 4.2 mt -47.36 -39.95 6.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.08 -42.7 91.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.85 -31.18 62.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.262 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 79' ' ' SER . 1.6 m -75.19 103.52 5.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 108.323 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.3 p -106.33 -1.3 23.52 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 0.0 110.382 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -120.16 -72.1 0.34 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.518 1.137 . . . . 0.0 110.975 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.4 ' O ' ' SG ' ' A' ' 76' ' ' CYS . 1.9 p -126.8 162.36 26.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 0.761 . . . . 0.0 109.985 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.58 ' HB2' ' CH2' ' A' ' 17' ' ' TRP . 10.8 tp -122.08 119.04 30.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' A' ' 57' ' ' ASP . 1.2 m-80 -114.08 105.06 12.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.431 1.082 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 39.0 mtm -139.29 155.76 47.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 110.976 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.413 ' O ' HD23 ' A' ' 84' ' ' LEU . 16.6 m -102.7 150.67 23.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.427 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.413 HD23 ' O ' ' A' ' 83' ' ' THR . 58.4 mt -119.93 161.94 20.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -110.56 119.74 40.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 110.275 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.402 ' NH1' ' O ' ' A' ' 5' ' ' SER . 0.0 OUTLIER -77.55 150.64 34.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 110.304 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -106.57 84.93 2.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.105 . . . . 0.0 109.3 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.2 t -76.83 88.52 3.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.989 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -169.7 78.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.88 114.77 6.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -112.52 156.99 21.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.06 97.09 0.66 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 109.346 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 38.1 p -125.73 155.98 40.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.988 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -117.14 137.04 23.55 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.266 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 141.61 26.67 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.533 1.807 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 65.9 t -111.99 138.25 41.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 81.5 p -106.72 136.92 45.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.021 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -169.74 126.41 0.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 109.968 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -113.78 97.32 0.84 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.501 1.126 . . . . 0.0 110.97 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 91.24 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.507 1.793 . . . . 0.0 110.994 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -119.26 126.87 52.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.83 148.18 49.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.001 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.48 1.112 . . . . 0.0 111.038 179.99 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.9 p -161.01 112.59 1.84 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 0.75 . . . . 0.0 109.996 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.96 162.57 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.98 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.7 -142.14 6.19 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 p -122.66 115.5 22.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 0.0 110.038 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.4 p -177.25 171.28 2.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.982 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.49 145.85 4.42 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.4 p -101.48 152.92 20.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 0.78 . . . . 0.0 110.028 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.474 ' CG2' ' N ' ' A' ' 10' ' ' SER . 1.7 p -122.41 165.26 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.474 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 41.6 t -131.25 124.89 31.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.004 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 15.9 mt -111.95 148.82 32.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.1 p -116.5 106.43 20.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -177.38 154.19 15.09 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.525 1.14 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.709 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.0 -5.5 16.87 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.522 1.801 . . . . 0.0 110.951 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.709 ' HB2' ' O ' ' A' ' 14' ' ' PRO . . . 161.51 -50.05 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.418 1.074 . . . . 0.0 109.355 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.707 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -75.0 77.72 3.06 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.524 1.802 . . . . 0.0 111.01 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.614 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 2.5 m95 -71.72 -24.22 61.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 108.002 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 108.7 -6.86 33.5 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.497 1.123 . . . . 0.0 111.028 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.583 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 1.4 p90 -109.37 151.6 26.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 0.794 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.457 ' CB ' ' HB3' ' A' ' 34' ' ' SER . 0.0 OUTLIER -115.19 175.4 5.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.329 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.515 ' CD1' HD11 ' A' ' 73' ' ' ILE . 90.2 mt -137.38 147.33 45.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 22.0 pt20 -146.63 147.28 30.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.311 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.486 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 103.66 -164.95 15.38 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.519 1.137 . . . . 0.0 110.989 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 135.81 179.24 16.41 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.4 ttpt -66.67 -42.46 86.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 0.774 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -69.72 -17.46 63.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.496 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 11.3 m-85 -93.99 -25.76 17.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.496 ' CB ' ' O ' ' A' ' 27' ' ' PHE . 2.9 t-20 81.61 37.65 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.107 . . . . 0.0 109.277 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.486 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 5.4 ptm -159.82 164.02 21.24 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 156.99 42.78 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.492 1.785 . . . . 0.0 110.986 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 mt -75.65 108.04 8.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.271 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -114.29 167.55 10.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.376 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.527 HG21 ' CD2' ' A' ' 36' ' ' LEU . 49.2 mm -78.55 98.67 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.257 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.457 ' HB3' ' CB ' ' A' ' 20' ' ' ARG . 1.0 OUTLIER -44.36 -57.46 3.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.977 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.672 ' HA ' HD11 ' A' ' 49' ' ' ILE . 0.6 OUTLIER -158.46 179.33 9.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.992 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.744 HD11 ' HB3' ' A' ' 42' ' ' ALA . 0.4 OUTLIER -127.45 167.85 15.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 0.0 109.283 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -115.1 135.0 54.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.096 . . . . 0.0 109.329 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.7 p-10 -40.94 117.81 0.9 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 109.265 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 51.47 43.17 52.11 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.479 1.112 . . . . 0.0 110.951 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 37' ' ' LYS . . . -84.86 158.82 33.79 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.19 -67.38 0.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 0.746 . . . . 0.0 109.343 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.744 ' HB3' HD11 ' A' ' 36' ' ' LEU . . . -40.42 -56.95 1.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 14.3 t -52.32 -46.01 65.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.011 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -59.27 -22.5 61.25 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.406 ' CB ' HG21 ' A' ' 9' ' ' VAL . . . -93.21 13.63 20.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 65.54 44.36 3.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.615 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 93.6 t -100.51 113.03 35.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.3 mtm180 -101.24 160.71 14.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.672 HD11 ' HA ' ' A' ' 35' ' ' SER . 5.9 mt -64.97 141.76 17.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 103.45 -17.45 50.67 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.474 1.109 . . . . 0.0 110.989 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.42 ' HB2' ' CG1' ' A' ' 33' ' ' ILE . 37.8 m-20 -53.85 127.39 25.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 0.786 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 76.9 t -91.04 130.0 40.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.349 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.452 HG11 ' CG1' ' A' ' 56' ' ' ILE . 48.3 t -85.25 101.44 9.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 34.8 mt -66.96 -40.81 87.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.3 p -139.41 165.99 25.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.993 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.471 HG22 ' O ' ' A' ' 56' ' ' ILE . 30.7 mt -138.77 93.53 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 81' ' ' ASN . 6.0 t0 74.66 46.5 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.262 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.7 9.31 61.98 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.445 1.091 . . . . 0.0 110.962 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.7 mm -107.48 142.77 19.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.556 0.798 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.97 123.47 22.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.088 . . . . 0.0 109.959 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -95.75 26.57 3.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -91.18 82.95 5.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.268 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 127.48 -47.8 1.0 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.534 1.146 . . . . 0.0 111.034 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 22.2 mtm -39.0 124.46 1.43 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 0.779 . . . . 0.0 111.016 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.4 p -70.65 164.97 23.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.388 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -48.31 -57.57 5.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.601 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.0 tp -48.86 -57.12 6.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -51.64 -59.78 3.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.432 ' HB1' ' CD1' ' A' ' 56' ' ' ILE . . . -48.76 -46.22 40.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.581 ' HA ' HD12 ' A' ' 73' ' ' ILE . 10.8 mm-40 -62.82 -34.54 77.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.6 -50.94 71.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.575 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 10.0 mmtt -51.02 -48.55 61.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.581 HD12 ' HA ' ' A' ' 70' ' ' GLN . 5.3 mt -47.51 -42.3 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -65.18 -33.55 76.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.575 ' HB3' ' O ' ' A' ' 72' ' ' LYS . . . -57.13 -23.39 46.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.418 ' HB3' HD13 ' A' ' 80' ' ' LEU . 14.0 p -41.84 145.48 0.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 108.273 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.639 HG23 ' O ' ' A' ' 77' ' ' THR . 13.6 t -131.89 50.56 2.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.132 . . . . 0.0 110.421 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 131.64 -56.95 0.73 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.525 1.141 . . . . 0.0 110.982 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.7 p -132.67 162.9 30.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 0.746 . . . . 0.0 110.011 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.592 ' HB2' ' CH2' ' A' ' 17' ' ' TRP . 11.2 tp -111.08 142.03 43.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.439 ' O ' ' N ' ' A' ' 57' ' ' ASP . 0.5 OUTLIER -131.03 104.67 7.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.4 ' HE1' ' CZ ' ' A' ' 19' ' ' PHE . 29.0 mtm -139.54 137.17 35.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.8 m -83.34 147.93 27.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.386 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 53.3 mt -118.02 162.23 18.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.423 ' HG2' ' N ' ' A' ' 86' ' ' ARG . 0.2 OUTLIER -117.41 143.89 45.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.423 ' N ' ' HG2' ' A' ' 85' ' ' GLN . 2.0 mpt_? -84.17 118.26 24.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 110.291 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -102.9 75.26 1.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 94.7 p -81.03 163.46 23.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.99 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -103.51 156.27 17.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -89.17 139.11 30.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 62.28 118.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.28 145.31 56.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 85.7 p -90.74 121.56 32.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.1 . . . . 0.0 110.076 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -97.65 150.5 36.85 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.333 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 126.14 9.77 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.49 1.784 . . . . 0.0 110.962 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 12.3 p -117.74 153.25 19.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.244 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 67.2 p -90.84 116.8 28.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.005 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.4 153.39 30.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 110.025 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 140.38 -154.68 24.23 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 90.2 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.514 1.797 . . . . 0.0 111.0 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 22.8 m -80.22 102.64 9.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.017 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 39.9 t -91.93 116.73 29.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.995 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.498 1.124 . . . . 0.0 111.0 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.2 m 69.36 -69.94 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 0.771 . . . . 0.0 109.994 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.4 p -103.06 119.44 38.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.001 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.432 ' CA ' ' HG3' ' A' ' 86' ' ' ARG . . . 141.97 100.98 0.41 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.473 1.108 . . . . 0.0 111.022 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.7 t -146.26 130.03 17.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 0.737 . . . . 0.0 110.056 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.5 p -50.71 173.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.972 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.66 139.17 2.84 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.8 p -100.16 148.33 24.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 0.786 . . . . 0.0 109.958 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.468 ' CG2' ' N ' ' A' ' 10' ' ' SER . 1.5 p -117.31 164.52 13.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.468 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 26.3 t -135.67 126.3 27.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.005 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.439 HD12 ' CE2' ' A' ' 19' ' ' PHE . 18.9 mt -112.27 151.35 29.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.108 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.621 HG13 ' HE2' ' A' ' 41' ' ' LYS . 7.4 p -117.04 106.44 20.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -177.04 156.59 20.72 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.493 1.121 . . . . 0.0 111.031 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.712 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.01 -6.01 17.51 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.546 1.814 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.712 ' HB2' ' O ' ' A' ' 14' ' ' PRO . . . 161.89 -50.22 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.705 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.01 78.11 2.98 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.482 1.78 . . . . 0.0 111.026 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.613 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 1.8 m95 -72.17 -23.5 61.29 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 113.63 -18.37 20.03 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.564 1.165 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.539 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 1.1 p90 -105.15 158.62 16.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 0.788 . . . . 0.0 110.999 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -126.44 171.12 11.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.683 HD11 HD11 ' A' ' 73' ' ' ILE . 59.6 mt -117.07 160.99 20.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -154.0 146.74 24.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 110.258 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.473 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 97.36 -160.01 21.24 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.497 1.123 . . . . 0.0 111.053 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 28' ' ' ASN . . . 130.25 172.66 13.19 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.7 ttpt -62.03 -47.11 86.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 0.77 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -64.51 -19.81 65.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.493 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 6.1 m-85 -93.98 -28.69 15.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.981 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' A' ' 27' ' ' PHE . 2.1 t-20 81.03 56.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.473 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 3.6 ptm -176.13 166.54 1.66 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 111.013 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 152.97 41.51 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.492 1.785 . . . . 0.0 110.99 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.405 ' O ' ' HA ' ' A' ' 52' ' ' VAL . 4.3 mt -74.65 115.42 14.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -124.46 173.19 8.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.377 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 25.3 mm -78.64 111.42 15.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.406 ' HB3' ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -58.75 -59.91 4.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.99 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.403 ' HA ' HD11 ' A' ' 49' ' ' ILE . 0.5 OUTLIER -155.58 -176.96 6.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.979 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.998 HD21 ' HB3' ' A' ' 42' ' ' ALA . 0.4 OUTLIER -150.49 159.56 44.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -95.54 145.46 25.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -47.52 112.18 0.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 50.64 44.54 47.43 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.51 1.131 . . . . 0.0 110.976 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.83 -149.72 0.59 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.621 ' HE2' HG13 ' A' ' 12' ' ' VAL . 1.1 mttp -86.98 -42.2 13.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 109.321 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.998 ' HB3' HD21 ' A' ' 36' ' ' LEU . . . -62.44 -41.54 98.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 32.0 t -57.97 -43.13 86.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.026 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -67.62 -23.38 65.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 110.294 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.438 ' HB1' ' CG2' ' A' ' 9' ' ' VAL . . . -89.26 13.72 12.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.439 ' O ' ' NH1' ' A' ' 48' ' ' ARG . 8.8 m-70 59.2 45.89 13.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.634 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 96.2 t -107.15 122.52 61.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.439 ' NH1' ' O ' ' A' ' 46' ' ' HIS . 0.0 OUTLIER -109.65 162.63 14.24 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 110.304 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.403 HD11 ' HA ' ' A' ' 35' ' ' SER . 3.1 mt -70.48 134.23 30.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 111.79 -14.04 26.95 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.539 1.15 . . . . 0.0 111.019 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -60.09 129.44 41.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 0.76 . . . . 0.0 109.252 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.405 ' HA ' ' O ' ' A' ' 31' ' ' LEU . 79.8 t -94.01 128.4 45.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.444 HG11 ' CG1' ' A' ' 56' ' ' ILE . 40.8 t -82.7 104.33 11.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 60.0 mt -70.75 -36.22 73.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.4 p -144.06 163.44 33.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.009 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.584 ' CD1' ' HB1' ' A' ' 69' ' ' ALA . 48.0 mt -136.58 90.49 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.576 1.173 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 18.7 t0 71.64 49.76 0.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.28 10.17 62.15 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.571 1.169 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.594 HG21 ' HE2' ' A' ' 72' ' ' LYS . 9.3 mm -105.54 133.66 49.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 0.77 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.39 121.49 16.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.992 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -91.75 21.89 4.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.335 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -89.35 101.24 13.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 106.89 -41.55 2.16 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 21.2 mtm -45.79 132.38 8.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 0.742 . . . . 0.0 110.982 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.9 p -74.73 171.44 13.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.123 . . . . 0.0 110.413 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -54.59 -56.93 13.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.582 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 1.016 HD13 ' N ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -48.42 -50.79 29.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 1.016 ' N ' HD13 ' A' ' 67' ' ' LEU . 1.0 OUTLIER -49.55 -65.12 0.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.311 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.584 ' HB1' ' CD1' ' A' ' 56' ' ' ILE . . . -48.11 -38.28 17.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -68.93 -37.04 78.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.323 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.656 ' ND2' HD21 ' A' ' 67' ' ' LEU . 1.3 m-20 -58.72 -48.24 81.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.594 ' HE2' HG21 ' A' ' 59' ' ' ILE . 33.6 mmtm -58.08 -49.64 76.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.694 HG12 HD21 ' A' ' 80' ' ' LEU . 5.8 mt -49.85 -42.44 18.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -63.97 -37.08 86.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 72' ' ' LYS . . . -56.63 -47.57 79.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.499 ' SG ' ' CD1' ' A' ' 80' ' ' LEU . 66.4 m -58.8 112.81 1.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 108.306 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 9.0 t -107.32 -14.72 14.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.418 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -105.87 -70.84 0.78 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.467 1.104 . . . . 0.0 111.006 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.1 p -137.62 162.42 33.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 0.783 . . . . 0.0 109.99 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.694 HD21 HG12 ' A' ' 73' ' ' ILE . 12.7 tp -111.82 115.16 28.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -110.12 104.95 13.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.568 ' HE2' HD23 ' A' ' 80' ' ' LEU . 28.9 mtm -134.16 151.27 51.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 111.041 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.4 m -97.73 145.51 26.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 110.444 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 32.4 mt -113.85 162.72 15.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -112.3 129.1 56.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.432 ' HG3' ' CA ' ' A' ' 4' ' ' GLY . 0.0 OUTLIER -81.51 152.77 27.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -96.23 89.22 5.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.128 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.2 t -152.59 84.27 1.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.983 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -172.33 104.78 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 56.7 173.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 62.75 117.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.65 162.6 20.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.3 t -103.99 112.34 25.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.96 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -72.99 116.09 46.94 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.272 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -178.85 4.47 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.476 1.777 . . . . 0.0 111.027 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 33.0 m -109.91 132.68 57.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.272 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -121.58 141.26 51.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.967 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 88.3 p -119.31 158.9 25.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.999 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -115.47 121.83 5.4 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 110.24 3.08 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.493 1.786 . . . . 0.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.02 135.07 53.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.981 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 55.5 p -107.44 128.03 54.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.0 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 O-C-N 124.496 1.123 . . . . 0.0 111.0 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.0 m -92.57 162.34 14.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 0.77 . . . . 0.0 110.029 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m -97.56 -62.27 1.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.019 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.95 -111.71 1.57 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.549 1.156 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.26 -51.85 1.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.768 . . . . 0.0 110.014 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 m 60.7 164.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.029 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.56 142.64 3.47 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 40.9 t -96.3 161.59 13.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 0.759 . . . . 0.0 110.001 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.481 HG23 ' HB1' ' A' ' 45' ' ' ALA . 1.2 p -130.96 163.79 35.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.472 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 26.8 t -137.24 123.89 21.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.019 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.438 HD12 ' HE2' ' A' ' 19' ' ' PHE . 31.7 mt -115.31 151.64 34.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.237 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 74.7 t -117.76 106.67 20.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -176.51 155.01 17.85 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.477 1.111 . . . . 0.0 111.027 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.713 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.98 -6.34 17.94 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.516 1.798 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.713 ' HB2' ' O ' ' A' ' 14' ' ' PRO . . . 161.72 -50.09 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.713 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.01 76.9 3.27 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.5 1.789 . . . . 0.0 110.981 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.627 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 2.1 m95 -71.35 -23.96 62.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 108.002 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 108.91 6.11 30.45 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.469 1.106 . . . . 0.0 111.04 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.569 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 1.7 p90 -125.33 160.72 28.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 0.77 . . . . 0.0 111.032 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.0 175.51 6.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 110.333 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.47 ' CD2' HD13 ' A' ' 33' ' ' ILE . 73.6 mt -137.06 151.3 48.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -151.89 149.59 29.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.291 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.474 ' CA ' ' HG2' ' A' ' 29' ' ' MET . . . 106.63 -153.1 16.97 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 116.44 175.51 17.78 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -64.63 -22.86 67.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 0.77 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -78.8 -34.02 45.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -93.67 16.24 14.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.959 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 49.68 47.2 23.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.271 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.474 ' HG2' ' CA ' ' A' ' 23' ' ' GLY . 1.9 ptm -168.98 171.92 3.17 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 111.0 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.406 ' O ' ' HG3' ' A' ' 29' ' ' MET . 18.4 Cg_endo -74.98 -161.56 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.525 1.803 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.0 mt -116.25 105.74 12.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.501 HG23 HG22 ' A' ' 52' ' ' VAL . 0.6 OUTLIER -112.98 168.1 9.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 110.404 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.47 HD13 ' CD2' ' A' ' 21' ' ' LEU . 21.4 mm -78.44 105.65 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.74 -58.16 9.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.99 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -153.24 -179.21 7.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 109.981 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 1.048 HD21 ' HB3' ' A' ' 42' ' ' ALA . 0.2 OUTLIER -149.24 163.57 37.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.4 tttp -96.27 147.46 23.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -54.08 113.2 1.15 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 62.63 33.71 87.45 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.499 1.125 . . . . 0.0 110.977 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.8 178.88 24.0 Favored Glycine 0 CA--C 1.529 0.95 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.59 -55.91 22.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 0.748 . . . . 0.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 1.048 ' HB3' HD21 ' A' ' 36' ' ' LEU . . . -45.94 -46.12 15.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.3 t -57.61 -43.05 84.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 110.016 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -65.44 -24.36 67.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.289 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.481 ' HB1' HG23 ' A' ' 9' ' ' VAL . . . -89.4 11.04 20.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 32.7 m-70 64.6 37.72 7.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.575 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 88.9 t -96.61 116.72 39.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 0.0 109.245 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 -103.78 157.9 16.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.285 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.2 mt -67.06 134.77 29.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.286 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 107.49 -4.86 35.05 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -69.17 125.71 27.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 0.768 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.501 HG22 HG23 ' A' ' 32' ' ' THR . 82.5 t -89.85 132.34 34.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.1 t -83.83 102.75 10.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.347 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 50.1 mt -67.45 -44.08 79.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.1 p -138.99 170.26 16.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.973 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 91.6 mt -141.97 91.86 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 81' ' ' ASN . 13.0 t0 68.64 50.74 0.65 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 73.07 3.25 60.15 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.0 mm -97.27 145.98 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 0.756 . . . . 0.0 109.283 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.83 117.47 23.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.042 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -92.95 28.91 1.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -80.41 -57.23 3.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.274 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -105.25 50.17 0.85 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.515 1.135 . . . . 0.0 111.0 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 30.3 mtm -131.07 132.42 44.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 110.997 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 81.5 p -75.68 171.49 14.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.571 1.169 . . . . 0.0 110.422 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.435 ' NE2' ' O ' ' A' ' 21' ' ' LEU . 3.1 t-160 -53.1 -50.62 64.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 109.574 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 1.015 HD13 ' N ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -56.49 -49.54 74.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 1.015 ' N ' HD13 ' A' ' 67' ' ' LEU . 2.3 mt-10 -48.07 -60.32 2.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.296 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.77 -48.7 69.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -56.69 -43.61 80.66 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 110.312 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.693 ' ND2' HD21 ' A' ' 67' ' ' LEU . 1.6 m-20 -52.8 -47.94 67.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.501 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 30.9 mmtm -58.51 -55.93 28.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.605 HG12 HD21 ' A' ' 80' ' ' LEU . 7.7 mt -49.26 -40.52 13.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.7 mttp -62.88 -31.18 72.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 72' ' ' LYS . . . -66.6 -40.44 88.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.49 ' SG ' HD12 ' A' ' 80' ' ' LEU . 77.6 m -68.72 112.56 5.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 108.3 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.9 t -109.9 -18.28 13.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.399 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -101.29 -71.82 0.94 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.408 ' HA ' ' O ' ' A' ' 11' ' ' LEU . 2.5 p -131.82 163.29 28.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 0.755 . . . . 0.0 109.979 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.605 HD21 HG12 ' A' ' 73' ' ' ILE . 12.8 tp -117.49 119.48 35.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.427 ' O ' ' N ' ' A' ' 57' ' ' ASP . 1.0 OUTLIER -114.26 104.82 12.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.107 . . . . 0.0 109.27 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 33.5 mtm -139.0 159.28 42.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 111.019 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.5 m -107.25 147.9 29.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.164 . . . . 0.0 110.349 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 41.6 mt -115.16 163.59 15.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.268 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -111.66 123.75 50.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.128 . . . . 0.0 110.259 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.418 ' HD2' ' N ' ' A' ' 86' ' ' ARG . 1.6 mpt_? -80.06 119.25 22.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.311 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -98.17 75.75 2.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 93.2 p -93.71 168.81 10.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.043 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . 64.65 176.87 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.267 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 57.83 65.08 1.39 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -129.18 107.95 9.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 109.267 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.09 110.96 5.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 46.4 m -109.0 157.87 18.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.003 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -105.87 120.95 47.41 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 110.31 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 175.95 10.54 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.526 1.803 . . . . 0.0 111.028 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 66.2 t -111.71 144.42 19.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 48.9 p -126.31 120.24 29.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.019 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.1 m -152.16 144.95 24.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 110.045 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 135.77 172.38 12.64 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.574 1.172 . . . . 0.0 111.035 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 147.71 34.4 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.442 1.759 . . . . 0.0 110.987 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.44 101.37 10.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.984 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -101.18 133.17 46.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 110.005 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.561 1.163 . . . . 0.0 110.99 179.992 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.4 t -94.94 88.39 5.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 0.766 . . . . 0.0 109.998 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.3 t 73.87 -59.41 0.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.003 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 54.66 -126.95 39.13 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.494 1.121 . . . . 0.0 111.007 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.431 ' O ' ' NH1' ' A' ' 86' ' ' ARG . 0.2 OUTLIER -155.6 152.37 28.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 0.768 . . . . 0.0 110.012 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 m -52.86 173.3 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 109.975 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.55 133.91 2.64 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.508 1.13 . . . . 0.0 110.973 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 39.6 t -96.18 161.9 13.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 0.748 . . . . 0.0 110.044 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.486 HG22 ' N ' ' A' ' 10' ' ' SER . 1.7 p -139.57 165.24 22.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.54 ' O ' HD23 ' A' ' 11' ' ' LEU . 32.6 t -132.38 136.95 47.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.994 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.54 HD23 ' O ' ' A' ' 10' ' ' SER . 26.4 mt -125.18 148.16 48.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.437 ' O ' HG13 ' A' ' 12' ' ' VAL . 7.6 p -114.78 107.19 22.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -172.11 154.25 21.17 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.711 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.97 -6.51 18.17 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.566 1.824 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.717 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . . . 161.26 -49.57 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.717 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.1 Cg_endo -75.07 79.86 2.58 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.479 1.779 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.639 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 2.3 m95 -75.04 -23.05 58.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 107.996 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.477 ' CA ' ' HB3' ' A' ' 37' ' ' LYS . . . 104.67 27.83 5.9 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.507 1.129 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.567 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 1.6 p90 -150.78 151.94 33.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 0.77 . . . . 0.0 110.985 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.2 mmt-85 -119.24 166.26 13.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.561 HD23 HD13 ' A' ' 33' ' ' ILE . 96.2 mt -126.37 155.36 42.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -155.21 149.72 26.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 110.276 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.468 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 102.4 -161.56 17.06 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.488 1.118 . . . . 0.0 111.03 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 126.46 -173.51 18.07 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.408 ' CA ' ' HE2' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -66.93 -50.02 63.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 0.758 . . . . 0.0 109.297 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -61.05 -20.06 62.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -96.39 -16.54 21.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.5 t30 69.5 38.31 1.79 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.468 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 3.3 ptm -157.21 165.09 19.55 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 110.996 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 155.79 42.82 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.526 1.803 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.403 ' O ' ' HA ' ' A' ' 52' ' ' VAL . 7.6 mt -75.18 112.88 11.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -121.59 168.03 12.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.406 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.561 HD13 HD23 ' A' ' 21' ' ' LEU . 29.0 mm -78.54 105.2 7.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.93 -62.28 1.61 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.011 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.455 ' HA ' HD11 ' A' ' 49' ' ' ILE . 0.5 OUTLIER -149.83 174.7 12.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.033 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.781 HD12 ' HB2' ' A' ' 43' ' ' SER . 0.2 OUTLIER -120.03 154.95 33.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.258 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.477 ' HB3' ' CA ' ' A' ' 18' ' ' GLY . 0.0 OUTLIER -100.13 135.14 42.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.29 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -49.52 123.26 7.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.335 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 44.01 50.78 7.44 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.47 1.106 . . . . 0.0 110.992 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -98.66 179.65 31.76 Favored Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.421 ' CE ' HG12 ' A' ' 12' ' ' VAL . 0.1 OUTLIER -62.88 -57.02 12.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 0.784 . . . . 0.0 109.305 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.48 ' HB2' ' HB3' ' A' ' 19' ' ' PHE . . . -41.66 -61.77 1.02 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.781 ' HB2' HD12 ' A' ' 36' ' ' LEU . 38.8 t -47.42 -48.4 26.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.432 1.082 . . . . 0.0 109.956 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -57.2 -27.36 61.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 42' ' ' ALA . . . -87.5 11.64 14.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 34.1 m-70 61.25 36.92 17.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.635 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.614 HG13 ' OD2' ' A' ' 51' ' ' ASP . 86.3 t -94.35 110.06 23.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.9 mtm180 -102.11 162.27 13.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.455 HD11 ' HA ' ' A' ' 35' ' ' SER . 3.0 mt -61.71 132.13 27.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 114.06 -18.24 19.01 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.478 1.111 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.614 ' OD2' HG13 ' A' ' 47' ' ' VAL . 15.1 m-20 -53.66 124.05 14.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 0.779 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 31' ' ' LEU . 85.5 t -94.36 128.61 45.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.543 HG11 ' CG1' ' A' ' 56' ' ' ILE . 22.1 t -80.55 111.53 17.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.471 HD12 ' O ' ' A' ' 84' ' ' LEU . 45.0 mt -76.81 -38.11 54.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.371 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.9 m -152.77 158.14 41.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 109.998 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.543 ' CG1' HG11 ' A' ' 53' ' ' VAL . 18.1 mt -132.69 130.29 59.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 81' ' ' ASN . 39.0 t0 54.58 29.12 10.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 85.54 1.17 87.85 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.471 1.107 . . . . 0.0 111.025 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.471 HG13 ' CE ' ' A' ' 72' ' ' LYS . 5.9 mm -94.84 126.4 47.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.447 0.734 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.22 123.15 19.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.983 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -89.51 43.17 1.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -90.95 62.21 4.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.281 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 120.14 43.15 0.49 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.517 1.136 . . . . 0.0 110.953 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 5.4 mtm -115.54 137.52 51.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 0.747 . . . . 0.0 111.001 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.4 p -80.68 164.27 22.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 110.43 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -52.2 -56.8 12.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.634 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.0 tp -46.61 -50.87 16.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 109.355 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -51.02 -69.14 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.332 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.536 ' HB1' HD12 ' A' ' 56' ' ' ILE . . . -47.73 -44.55 27.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -58.81 -40.56 84.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.99 -50.65 72.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.494 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 36.0 mmtt -52.95 -58.54 6.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.421 1.076 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.689 HG12 HD21 ' A' ' 80' ' ' LEU . 6.4 mt -44.57 -47.41 2.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.0 mttp -60.54 -38.97 86.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.494 ' HB3' ' O ' ' A' ' 72' ' ' LYS . . . -58.5 -47.99 82.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.265 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.567 ' SG ' HD12 ' A' ' 80' ' ' LEU . 59.3 m -58.26 105.23 0.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 108.292 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 11.0 t -99.15 -11.74 21.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.143 . . . . 0.0 110.392 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -109.09 -79.31 1.11 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.515 1.134 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.418 ' HA ' ' O ' ' A' ' 11' ' ' LEU . 1.2 p -126.32 162.24 25.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 0.774 . . . . 0.0 110.018 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.689 HD21 HG12 ' A' ' 73' ' ' ILE . 9.3 tp -110.64 121.76 46.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.451 ' O ' ' N ' ' A' ' 57' ' ' ASP . 0.9 OUTLIER -116.43 105.22 12.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.468 ' HE1' ' CZ ' ' A' ' 19' ' ' PHE . 27.9 mtm -136.77 156.04 49.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.138 . . . . 0.0 111.012 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.8 m -104.18 146.1 29.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.411 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.471 ' O ' HD12 ' A' ' 54' ' ' LEU . 47.7 mt -115.78 162.1 17.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -110.31 119.28 38.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.309 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.431 ' NH1' ' O ' ' A' ' 5' ' ' SER . 1.8 mpt_? -78.44 119.76 22.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.088 . . . . 0.0 110.288 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -149.08 79.06 1.4 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.16 170.4 10.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.0 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.53 141.81 15.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -108.33 102.32 11.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.255 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -122.26 162.56 21.23 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.403 ' HD3' ' N ' ' A' ' 92' ' ' LYS . 1.3 mppt? -117.09 168.88 9.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.34 103.09 7.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.969 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.98 111.19 53.73 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.341 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 174.28 13.05 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.468 1.773 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 86.4 t -96.09 137.66 23.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 33.7 t -100.31 117.64 34.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.992 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.4 m -171.2 156.91 4.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.922 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -80.2 -170.29 41.15 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.502 1.127 . . . . 0.0 111.009 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 59.46 5.21 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.529 1.805 . . . . 0.0 110.993 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.93 130.84 56.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.992 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.21 90.56 8.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.989 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.121 . . . . 0.0 110.987 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.9 p -85.68 135.91 33.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 0.801 . . . . 0.0 110.016 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.5 t -57.06 158.59 4.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.054 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.54 -161.12 10.91 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.0 m 55.58 66.79 1.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 0.777 . . . . 0.0 109.983 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.0 p -164.83 176.36 8.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 110.01 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.73 136.28 2.18 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.501 1.125 . . . . 0.0 111.01 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 40.8 t -94.44 163.24 13.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 0.767 . . . . 0.0 109.991 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.465 ' CG2' ' N ' ' A' ' 10' ' ' SER . 0.9 OUTLIER -137.94 163.4 29.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.465 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 47.2 t -136.2 130.29 32.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.025 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 54.9 mt -119.69 148.01 43.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 76.1 t -115.69 106.66 20.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -174.63 156.36 22.81 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.512 1.132 . . . . 0.0 111.05 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.697 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.01 -5.8 17.25 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.518 1.799 . . . . 0.0 110.962 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.73 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . . . 161.8 -50.15 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.73 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.95 78.81 2.79 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.451 1.763 . . . . 0.0 111.028 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.633 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 1.9 m95 -73.3 -23.72 60.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 107.983 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.459 ' CA ' ' HB3' ' A' ' 37' ' ' LYS . . . 107.45 26.19 5.74 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.472 1.107 . . . . 0.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.603 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 0.9 OUTLIER -147.86 149.55 32.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 0.751 . . . . 0.0 110.962 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.415 ' CB ' ' OG ' ' A' ' 34' ' ' SER . 2.8 mmt180 -113.23 174.63 5.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.578 HD11 HD13 ' A' ' 73' ' ' ILE . 54.6 mt -131.1 159.77 36.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -160.41 145.72 14.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.479 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 102.34 -160.52 17.44 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.488 1.118 . . . . 0.0 110.984 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 127.63 175.21 14.01 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.18 -36.53 84.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 0.749 . . . . 0.0 109.302 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.54 -20.93 61.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.433 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 27.0 m-85 -95.87 -17.47 21.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.087 . . . . 0.0 111.0 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.433 ' CB ' ' O ' ' A' ' 27' ' ' PHE . 20.2 t-20 78.29 36.64 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.479 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 4.3 ptm -159.73 164.56 19.97 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.959 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 157.59 42.54 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.466 1.771 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.402 ' O ' ' HA ' ' A' ' 52' ' ' VAL . 1.6 mt -75.42 118.44 18.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -127.2 168.73 14.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.093 . . . . 0.0 110.389 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.431 HG21 ' CD2' ' A' ' 36' ' ' LEU . 37.8 mm -78.66 104.23 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.42 ' HB3' ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -48.78 -60.24 2.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.967 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.75 176.36 12.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.113 . . . . 0.0 109.953 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.861 HD12 ' HB3' ' A' ' 43' ' ' SER . 0.4 OUTLIER -117.23 154.22 31.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.459 ' HB3' ' CA ' ' A' ' 18' ' ' GLY . 0.0 OUTLIER -97.23 136.02 38.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.69 112.56 0.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 58.49 46.3 93.32 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.453 1.096 . . . . 0.0 111.035 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -90.92 178.44 42.22 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -71.48 -54.78 9.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.766 . . . . 0.0 109.305 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.474 ' CB ' ' HB3' ' A' ' 19' ' ' PHE . . . -40.23 -60.73 1.01 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.861 ' HB3' HD12 ' A' ' 36' ' ' LEU . 5.9 p -47.46 -48.37 26.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.999 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -63.54 -22.64 67.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 42' ' ' ALA . . . -90.74 16.72 8.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.415 ' HA ' ' NH2' ' A' ' 48' ' ' ARG . 13.5 m-70 59.13 50.25 8.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.102 . . . . 0.0 109.579 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 44.5 t -108.77 99.24 8.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.42 ' NH2' ' O ' ' A' ' 43' ' ' SER . 8.8 mmp_? -87.94 166.42 14.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.0 mt -72.33 133.36 31.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 107.27 -9.67 39.08 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.506 1.129 . . . . 0.0 111.032 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.406 ' OD2' HD13 ' A' ' 84' ' ' LEU . 10.7 m-20 -58.51 125.05 21.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 0.751 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.402 ' HA ' ' O ' ' A' ' 31' ' ' LEU . 72.3 t -93.11 129.86 43.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.506 ' CG1' ' O ' ' A' ' 55' ' ' SER . 99.8 t -84.1 104.57 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 32.6 mt -69.29 -45.46 69.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.506 ' O ' ' CG1' ' A' ' 53' ' ' VAL . 87.8 p -130.92 172.76 11.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.006 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.547 HG22 ' O ' ' A' ' 56' ' ' ILE . 17.5 mt -146.12 92.68 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 81' ' ' ASN . 7.3 t0 71.57 43.86 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.112 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 75.63 5.3 78.2 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.459 1.1 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.42 ' O ' ' N ' ' A' ' 56' ' ' ILE . 2.9 mm -103.4 137.58 31.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 0.768 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.4 t -67.74 120.92 14.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.976 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -102.35 40.21 1.39 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -88.87 -48.22 7.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -113.5 52.64 0.63 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.543 1.152 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 8.1 mtm -129.27 135.5 48.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 0.739 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 19.4 p -79.96 165.45 22.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.391 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -47.43 -48.89 26.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.578 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.994 HD13 ' N ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -57.09 -54.35 47.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.994 ' N ' HD13 ' A' ' 67' ' ' LEU . 9.7 mm-40 -45.54 -57.03 4.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.518 ' HB1' ' CD1' ' A' ' 56' ' ' ILE . . . -56.62 -51.89 66.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -53.16 -47.3 68.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.761 ' ND2' HD21 ' A' ' 67' ' ' LEU . 1.9 m-20 -52.1 -48.66 64.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.421 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 18.1 mmtt -59.51 -57.74 11.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.578 HD13 HD11 ' A' ' 21' ' ' LEU . 5.3 mt -50.96 -40.22 20.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.343 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.0 tttt -65.47 -32.47 74.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 72' ' ' LYS . . . -67.84 -28.03 67.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 34.7 m -77.09 98.0 4.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 108.33 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 12.0 t -98.86 -5.77 30.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.408 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -111.2 -77.59 0.9 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.495 1.122 . . . . 0.0 111.046 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.42 159.36 36.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.77 . . . . 0.0 110.006 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.577 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 12.7 tp -114.42 118.38 33.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.415 ' O ' ' N ' ' A' ' 57' ' ' ASP . 1.2 m-80 -116.61 105.04 12.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.09 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 25.3 mtm -140.56 152.85 45.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 111.001 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.438 ' O ' HD23 ' A' ' 84' ' ' LEU . 5.9 m -98.45 147.44 24.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.393 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.438 HD23 ' O ' ' A' ' 83' ' ' THR . 17.6 mt -114.77 166.18 12.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.426 ' HG2' ' N ' ' A' ' 86' ' ' ARG . 0.0 OUTLIER -117.28 137.74 52.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.298 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.426 ' N ' ' HG2' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -77.16 151.07 35.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.31 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -126.21 89.64 3.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.6 t -97.03 90.21 5.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.971 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -170.86 100.11 0.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 0.0 109.329 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -158.37 156.34 30.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -134.38 153.4 51.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.11 173.51 6.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.07 144.15 51.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.993 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -99.61 154.05 37.47 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 176.6 9.7 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.519 1.8 . . . . 0.0 111.035 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 27.7 m -123.12 160.47 25.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.446 1.091 . . . . 0.0 109.336 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.3 m -117.83 150.25 39.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 110.018 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.55 136.46 23.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.994 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 107.82 100.29 2.65 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.539 1.15 . . . . 0.0 111.003 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 123.27 7.74 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.514 1.797 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.7 m -98.47 140.37 32.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 110.012 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.27 148.69 50.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.033 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.522 1.139 . . . . 0.0 111.016 179.976 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.2 m 59.82 106.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 0.741 . . . . 0.0 109.995 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.9 m -54.89 -59.17 5.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.994 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.91 -78.18 0.39 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.482 1.114 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.3 p -116.22 118.21 32.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 0.755 . . . . 0.0 109.98 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.5 p 53.69 174.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 109.942 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.93 149.63 5.79 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.476 1.11 . . . . 0.0 110.976 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.7 p -93.5 151.66 19.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 0.791 . . . . 0.0 109.983 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.458 ' CG2' ' N ' ' A' ' 10' ' ' SER . 1.3 p -122.03 163.34 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.458 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 47.3 t -133.37 115.65 15.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.017 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.462 HD13 ' HB3' ' A' ' 17' ' ' TRP . 34.5 mt -102.99 149.97 24.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 77.9 t -117.94 106.35 19.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -177.26 156.88 21.21 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.714 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.04 -4.88 16.05 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.493 1.786 . . . . 0.0 111.031 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.724 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . . . 161.67 -50.14 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.724 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -75.02 77.61 3.1 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.509 1.794 . . . . 0.0 111.02 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.588 ' CZ2' ' HB2' ' A' ' 80' ' ' LEU . 2.8 m95 -70.19 -25.96 63.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 107.952 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.474 ' CA ' ' HB3' ' A' ' 37' ' ' LYS . . . 106.28 29.11 4.94 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.483 1.115 . . . . 0.0 110.976 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.601 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 0.8 OUTLIER -148.95 149.56 31.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 0.796 . . . . 0.0 111.018 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.4 mmm180 -114.44 175.71 5.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 110.343 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.452 ' C ' ' NE2' ' A' ' 66' ' ' HIS . 69.6 mt -135.1 152.25 51.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -153.03 143.32 22.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.565 1.166 . . . . 0.0 110.286 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.477 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 107.98 -157.72 15.23 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.493 1.121 . . . . 0.0 111.029 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 122.97 -169.96 15.35 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.39 -55.88 8.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 0.765 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -56.46 -19.33 14.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -95.85 -20.37 18.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 111.014 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 72.78 43.5 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.477 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 4.7 ptm -164.57 164.99 13.13 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 155.89 43.01 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.529 1.805 . . . . 0.0 111.009 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.7 mt -75.35 111.96 11.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.255 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -117.94 167.78 11.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.427 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.439 HG21 HD23 ' A' ' 36' ' ' LEU . 30.0 mm -78.46 100.35 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.405 ' HB3' ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -45.9 -59.61 2.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 109.994 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.503 ' HA ' HD11 ' A' ' 49' ' ' ILE . 0.5 OUTLIER -153.8 175.37 13.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.997 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.788 HD12 ' HB3' ' A' ' 43' ' ' SER . 0.2 OUTLIER -119.57 163.54 17.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.272 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.474 ' HB3' ' CA ' ' A' ' 18' ' ' GLY . 13.0 tttp -109.67 128.28 55.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -43.34 121.52 2.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 45.8 53.77 8.43 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -103.08 165.44 16.03 Favored Glycine 0 CA--C 1.531 1.057 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.09 -48.51 64.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 0.785 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.476 ' CB ' ' HB3' ' A' ' 19' ' ' PHE . . . -48.98 -63.91 0.96 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.788 ' HB3' HD12 ' A' ' 36' ' ' LEU . 83.8 p -47.25 -48.26 24.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.0 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -54.91 -26.2 34.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.36 12.56 13.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 10.5 m170 59.87 42.95 15.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.623 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.464 HG13 ' OD2' ' A' ' 51' ' ' ASP . 98.1 t -98.5 112.36 30.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.408 1.067 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.5 mtm180 -101.47 161.5 13.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 110.284 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.503 HD11 ' HA ' ' A' ' 35' ' ' SER . 3.1 mt -64.92 133.72 30.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 112.84 -18.42 22.03 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.566 1.166 . . . . 0.0 111.03 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.464 ' OD2' HG13 ' A' ' 47' ' ' VAL . 13.3 m-20 -53.84 126.04 20.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.757 . . . . 0.0 109.236 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 82.7 t -94.66 132.61 38.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.33 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.418 HG11 ' CG1' ' A' ' 56' ' ' ILE . 43.4 t -89.11 104.85 15.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 42.5 mt -73.28 -42.62 62.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.3 p -131.89 164.47 26.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 110.007 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.582 ' CD1' ' HB1' ' A' ' 69' ' ' ALA . 55.5 mt -142.26 98.32 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 81' ' ' ASN . 16.2 t0 71.23 50.65 0.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.113 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 65.44 13.18 57.96 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.536 1.147 . . . . 0.0 111.008 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.418 HG13 ' CE ' ' A' ' 72' ' ' LYS . 3.1 mm -109.36 143.41 19.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.498 0.763 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.4 t -75.07 123.88 25.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 110.008 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -98.75 28.24 4.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -92.97 53.51 2.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 0.0 110.321 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 142.66 45.22 0.05 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 9.1 mtm -129.45 135.48 48.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 0.754 . . . . 0.0 110.989 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.9 p -72.23 161.9 30.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.42 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.452 ' NE2' ' C ' ' A' ' 21' ' ' LEU . 3.1 t-160 -51.92 -50.46 61.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.596 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 1.006 HD13 ' N ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -53.98 -54.49 38.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 1.006 ' N ' HD13 ' A' ' 67' ' ' LEU . 54.6 mm-40 -46.66 -60.14 2.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 110.277 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.582 ' HB1' ' CD1' ' A' ' 56' ' ' ILE . . . -51.71 -43.57 62.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.442 ' HA ' HD12 ' A' ' 73' ' ' ILE . 5.9 mm-40 -64.02 -37.19 86.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.566 1.166 . . . . 0.0 110.263 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.678 ' ND2' HD21 ' A' ' 67' ' ' LEU . 1.7 m-20 -62.02 -46.46 89.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.518 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 20.7 mmtm -57.72 -52.47 65.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.518 ' HA ' HD11 ' A' ' 80' ' ' LEU . 6.1 mt -45.54 -41.98 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.108 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.66 -40.35 87.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 72' ' ' LYS . . . -48.7 -25.9 2.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.401 ' C ' ' O ' ' A' ' 75' ' ' ALA . 17.8 p -41.76 123.94 2.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 108.301 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 8.9 t -107.34 0.72 23.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.39 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -179.41 -56.31 0.08 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.496 1.123 . . . . 0.0 110.974 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.4 p -126.83 160.95 29.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 0.75 . . . . 0.0 110.02 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.588 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 11.1 tp -111.0 142.46 43.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.426 ' O ' ' N ' ' A' ' 57' ' ' ASP . 0.6 OUTLIER -131.43 105.11 7.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.454 ' HE1' ' CZ ' ' A' ' 19' ' ' PHE . 39.6 mtm -139.88 144.65 37.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.2 m -91.23 148.37 22.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.393 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 50.6 mt -117.0 166.44 12.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -121.58 125.35 46.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 110.328 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.01 150.07 32.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.266 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -117.33 97.36 5.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.4 m -57.34 147.87 24.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.996 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . 54.93 88.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -143.04 91.06 2.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -80.79 114.22 19.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.81 140.94 44.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.76 123.43 27.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.974 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.408 ' HA ' ' HD3' ' A' ' 95' ' ' PRO . 3.4 pt-20 -107.27 133.97 20.12 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.253 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 94' ' ' GLU . 18.4 Cg_endo -74.99 166.17 29.77 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.485 1.781 . . . . 0.0 111.025 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 55.3 t -82.14 111.86 19.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.62 156.97 26.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.453 1.096 . . . . 0.0 109.981 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.6 t -154.78 111.43 3.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.974 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 157.19 -144.98 11.25 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.492 1.12 . . . . 0.0 110.969 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 69.43 5.55 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.521 1.8 . . . . 0.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 49.5 m -120.09 102.9 8.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 110.023 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.06 127.19 52.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.017 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.488 1.118 . . . . 0.0 111.012 179.986 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 4' ' ' GLY . 0.6 OUTLIER 65.4 153.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.433 0.725 . . . . 0.0 110.01 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.2 m 64.83 -76.45 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.01 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 2' ' ' SER . . . -120.18 165.96 13.64 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.515 1.134 . . . . 0.0 111.032 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.41 86.57 2.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 0.764 . . . . 0.0 110.009 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.1 p -103.65 -174.85 2.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.041 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.56 136.53 2.95 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.466 1.104 . . . . 0.0 110.978 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.9 p -92.37 151.93 20.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 0.781 . . . . 0.0 110.003 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.473 ' CG2' ' N ' ' A' ' 10' ' ' SER . 1.4 p -129.27 164.09 32.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.473 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 40.4 t -128.34 124.44 36.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.996 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.542 HD13 ' HB3' ' A' ' 17' ' ' TRP . 6.3 mt -99.82 147.87 25.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.168 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 76.2 t -118.05 106.44 19.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.292 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -178.93 156.95 19.98 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.698 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -75.0 -5.22 16.52 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.506 1.793 . . . . 0.0 111.032 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.736 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . . . 161.89 -50.52 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.736 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.99 75.88 3.56 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.461 1.769 . . . . 0.0 111.013 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.591 ' CZ2' ' HB2' ' A' ' 80' ' ' LEU . 2.7 m95 -67.19 -27.49 67.31 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.463 ' CA ' ' HB3' ' A' ' 37' ' ' LYS . . . 103.59 29.48 5.6 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.49 1.118 . . . . 0.0 110.966 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.629 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -148.58 148.74 30.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 0.761 . . . . 0.0 110.975 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.68 174.66 6.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.806 HD11 HD11 ' A' ' 73' ' ' ILE . 77.9 mt -120.09 160.18 23.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -156.12 149.11 24.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.273 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.48 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 91.14 -162.02 28.22 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.544 1.153 . . . . 0.0 111.012 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 132.11 161.43 10.04 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.86 -29.08 26.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 0.757 . . . . 0.0 109.291 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -79.02 -31.55 44.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -87.39 -3.39 59.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 111.002 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 60.87 53.08 3.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.48 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 4.3 ptm -172.96 165.71 3.24 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.145 . . . . 0.0 110.996 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.4 ' O ' ' HG3' ' A' ' 29' ' ' MET . 18.4 Cg_endo -74.96 155.23 43.13 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.523 1.802 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.401 ' O ' ' HA ' ' A' ' 52' ' ' VAL . 5.8 mt -74.76 119.84 19.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -127.79 171.16 11.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.389 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.52 HG21 ' CD2' ' A' ' 36' ' ' LEU . 22.7 mm -78.47 100.89 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.42 ' HB3' ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -44.49 -57.29 3.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.98 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.505 ' HA ' HD11 ' A' ' 49' ' ' ILE . 0.5 OUTLIER -157.0 175.57 13.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 110.009 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.841 HD12 ' HB2' ' A' ' 43' ' ' SER . 0.3 OUTLIER -120.01 167.68 11.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.271 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.463 ' HB3' ' CA ' ' A' ' 18' ' ' GLY . 5.4 tttp -113.95 133.82 55.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.16 118.39 1.89 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 47.84 51.63 17.9 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.51 1.131 . . . . 0.0 111.029 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -98.5 162.66 20.64 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.76 -59.19 3.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 0.743 . . . . 0.0 109.246 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.48 ' CB ' ' HB3' ' A' ' 19' ' ' PHE . . . -42.04 -63.74 0.69 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.107 . . . . 0.0 109.367 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.841 ' HB2' HD12 ' A' ' 36' ' ' LEU . 1.4 t -47.43 -47.8 26.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.025 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -55.06 -25.72 32.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 110.268 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 42' ' ' ALA . . . -90.67 14.92 12.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 64.22 42.43 5.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.582 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.436 HG13 ' OD2' ' A' ' 51' ' ' ASP . 93.1 t -96.08 108.58 21.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.2 mtm180 -105.59 155.62 19.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.505 HD11 ' HA ' ' A' ' 35' ' ' SER . 2.9 mt -58.57 132.66 23.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.451 1.095 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 115.12 -19.39 15.22 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.484 1.115 . . . . 0.0 111.025 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.436 ' OD2' HG13 ' A' ' 47' ' ' VAL . 38.3 m-20 -53.99 124.37 15.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 0.758 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.401 ' HA ' ' O ' ' A' ' 31' ' ' LEU . 77.4 t -93.75 128.67 44.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.349 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.482 HG11 ' CG1' ' A' ' 56' ' ' ILE . 36.6 t -87.69 106.59 16.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.402 HD11 ' HB2' ' A' ' 85' ' ' GLN . 40.2 mt -75.82 -33.04 60.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.263 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.407 ' O ' ' CG1' ' A' ' 53' ' ' VAL . 18.0 p -146.14 166.79 25.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.143 . . . . 0.0 110.028 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.482 ' CG1' HG11 ' A' ' 53' ' ' VAL . 85.9 mt -142.94 89.37 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 81' ' ' ASN . 17.7 t0 75.81 55.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 63.43 13.71 51.3 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.528 1.142 . . . . 0.0 110.991 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.404 ' O ' ' HA ' ' A' ' 55' ' ' SER . 2.3 mm -107.9 138.05 36.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.519 0.776 . . . . 0.0 109.255 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.2 t -73.68 122.76 22.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 109.985 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -103.81 33.22 3.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -74.29 -64.38 1.03 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.301 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -105.46 51.94 0.74 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.528 1.143 . . . . 0.0 111.035 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.7 mtm -117.33 132.53 56.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 0.761 . . . . 0.0 111.016 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 64.3 p -79.85 157.44 26.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.374 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.444 ' NE2' ' C ' ' A' ' 21' ' ' LEU . 2.0 t-160 -43.31 -50.12 6.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.631 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 18.5 tp -55.53 -50.72 69.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.247 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -51.11 -64.69 0.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 110.285 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.03 -48.48 43.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -58.73 -41.12 85.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 110.279 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -52.61 -53.27 49.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 75' ' ' ALA . 25.1 mmmt -47.36 -61.37 1.94 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.806 HD11 HD11 ' A' ' 21' ' ' LEU . 5.9 mt -44.92 -48.71 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -51.45 -36.98 46.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 72' ' ' LYS . . . -94.55 45.8 1.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 73' ' ' ILE . 32.0 p -95.85 166.43 11.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 108.313 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.7 t -173.24 120.63 0.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.34 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 84.86 -74.75 2.45 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.8 p -141.8 164.4 30.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 0.771 . . . . 0.0 110.013 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.591 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 14.4 tp -120.32 110.58 16.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 57' ' ' ASP . 1.7 m-80 -98.55 109.24 22.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.09 . . . . 0.0 109.342 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.434 ' HB2' ' HE3' ' A' ' 82' ' ' MET . 35.0 mtm -134.68 145.15 48.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 111.028 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 20.3 m -90.69 151.04 21.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.368 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 70.0 mt -125.26 168.13 13.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.117 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.428 ' HG3' ' N ' ' A' ' 86' ' ' ARG . 1.1 tp-100 -129.29 136.8 50.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.308 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.428 ' N ' ' HG3' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -76.87 152.77 35.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.095 . . . . 0.0 110.298 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -163.96 98.42 0.85 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.62 163.41 36.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.02 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -97.35 111.25 23.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 109.342 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.92 168.83 3.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -150.01 166.95 28.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.03 130.12 53.65 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.35 126.64 40.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.991 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -77.57 157.71 79.58 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.331 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 149.85 37.21 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.504 1.792 . . . . 0.0 110.985 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 8.8 p -114.58 142.93 25.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.65 133.4 54.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.968 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.1 p -171.96 147.48 2.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.002 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -61.06 143.67 48.63 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.506 1.129 . . . . 0.0 110.957 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 138.31 22.92 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.461 1.769 . . . . 0.0 110.993 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -111.58 127.68 55.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.007 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -111.83 147.74 35.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.047 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 179.989 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.948 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.9 p -118.15 123.44 45.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 0.744 . . . . 0.0 110.01 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -143.73 169.55 17.54 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.53 1.144 . . . . 0.0 109.958 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.24 -115.85 1.23 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.488 1.118 . . . . 0.0 111.007 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -101.41 -64.68 1.03 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 0.785 . . . . 0.0 109.99 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.434 ' HB2' ' CD1' ' A' ' 54' ' ' LEU . 0.6 OUTLIER -134.31 -46.9 0.77 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.002 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.86 136.4 2.21 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.0 m -106.47 156.4 18.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 0.764 . . . . 0.0 110.008 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.467 ' CG2' ' N ' ' A' ' 10' ' ' SER . 1.4 p -143.53 164.36 15.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.467 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 9.4 t -134.39 129.37 35.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.008 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.406 HD12 ' CE2' ' A' ' 19' ' ' PHE . 35.4 mt -113.07 148.57 34.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.346 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.42 ' O ' HG13 ' A' ' 12' ' ' VAL . 7.1 p -117.8 106.62 20.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -176.2 157.05 22.56 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.461 1.1 . . . . 0.0 111.022 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.711 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.01 -6.06 17.57 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.526 1.803 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.724 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . . . 161.96 -50.25 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.57 1.169 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.724 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.0 77.46 3.13 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.441 1.758 . . . . 0.0 110.959 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.609 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 2.1 m95 -71.03 -24.9 62.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 108.016 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.458 ' O ' HD13 ' A' ' 36' ' ' LEU . . . 108.06 3.88 33.68 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.498 1.124 . . . . 0.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.608 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 0.7 OUTLIER -121.96 139.77 53.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 0.779 . . . . 0.0 110.968 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.446 ' CB ' ' OG ' ' A' ' 34' ' ' SER . 2.7 mmm180 -106.99 174.32 5.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 110.294 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.557 HD23 HD13 ' A' ' 33' ' ' ILE . 72.9 mt -135.5 154.66 51.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -158.94 149.27 19.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 110.297 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.486 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 100.99 -157.38 19.17 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.125 . . . . 0.0 111.043 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 121.96 -175.48 16.31 Favored Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.18 -53.51 43.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 0.754 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -59.16 -17.44 27.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -97.48 -15.05 20.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 110.983 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 70.04 35.48 2.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.255 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.486 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 3.3 ptm -157.61 165.41 18.78 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.149 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 154.43 42.45 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.488 1.783 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.6 mt -75.33 111.27 10.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.419 ' HA ' ' O ' ' A' ' 51' ' ' ASP . 0.6 OUTLIER -119.7 167.56 11.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.445 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.557 HD13 HD23 ' A' ' 21' ' ' LEU . 51.4 mm -78.23 102.02 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.446 ' OG ' ' CB ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -44.1 -56.01 4.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.157 . . . . 0.0 110.006 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -161.26 179.95 7.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.992 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.975 HD11 ' HB3' ' A' ' 42' ' ' ALA . 0.2 OUTLIER -130.57 151.94 50.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 18' ' ' GLY . 6.2 ttpt -95.93 149.48 21.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -57.3 118.02 4.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.37 46.71 86.51 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.463 1.102 . . . . 0.0 110.981 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -87.95 160.89 31.44 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.14 -47.07 72.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 0.789 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.975 ' HB3' HD11 ' A' ' 36' ' ' LEU . . . -55.59 -56.73 16.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.2 p -54.64 -34.21 61.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.002 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -69.0 -21.95 64.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 110.335 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.404 ' HB3' HG23 ' A' ' 47' ' ' VAL . . . -89.44 11.14 20.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 13.3 m-70 65.99 37.61 5.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.566 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.404 HG23 ' HB3' ' A' ' 45' ' ' ALA . 60.5 t -94.75 113.58 29.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -95.93 152.23 18.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 110.277 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.415 HD13 ' HA ' ' A' ' 49' ' ' ILE . 21.1 mm -58.34 138.17 19.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 108.91 -11.87 34.7 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.469 1.106 . . . . 0.0 111.011 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.723 ' CG ' HD22 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -53.6 142.12 23.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 0.744 . . . . 0.0 109.314 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 75.5 t -110.69 116.79 53.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.474 ' CG1' ' O ' ' A' ' 55' ' ' SER . 61.4 t -71.59 104.6 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.434 ' CD1' ' HB2' ' A' ' 6' ' ' SER . 39.7 mt -71.8 -37.45 70.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.474 ' O ' ' CG1' ' A' ' 53' ' ' VAL . 33.9 p -141.01 169.35 17.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.996 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.652 ' CD1' ' HB1' ' A' ' 69' ' ' ALA . 77.1 mt -143.77 86.28 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 81' ' ' ASN . 5.4 t70 76.73 46.57 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 73.55 2.86 61.1 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.473 1.108 . . . . 0.0 110.984 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.4 mm -97.2 144.22 11.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.482 0.754 . . . . 0.0 109.33 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.64 115.81 16.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 110.004 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -94.8 28.13 2.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -85.67 -49.39 8.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.412 1.07 . . . . 0.0 110.297 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -109.8 47.64 1.02 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.499 1.124 . . . . 0.0 111.042 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 7.7 mtm -129.01 134.82 48.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 0.761 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.452 ' OG1' ' CG ' ' A' ' 68' ' ' GLU . 27.3 p -74.45 171.52 13.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.398 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -54.57 -54.28 43.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.58 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 1.032 HD13 ' N ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -56.94 -47.01 81.68 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 1.032 ' N ' HD13 ' A' ' 67' ' ' LEU . 22.9 mm-40 -47.15 -57.99 4.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.272 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.722 ' O ' HD12 ' A' ' 73' ' ' ILE . . . -58.86 -46.25 88.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.344 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -56.58 -39.69 73.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.289 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.702 ' ND2' HD21 ' A' ' 67' ' ' LEU . 1.8 m-20 -57.97 -50.06 74.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.416 ' NZ ' ' HB3' ' A' ' 72' ' ' LYS . 0.6 OUTLIER -54.32 -63.29 1.2 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.722 HD12 ' O ' ' A' ' 69' ' ' ALA . 3.4 mt -45.82 -34.34 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.107 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.14 -51.84 67.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.336 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.512 ' O ' HG23 ' A' ' 77' ' ' THR . . . -54.7 -37.82 66.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.459 ' SG ' HD12 ' A' ' 80' ' ' LEU . 19.4 m -65.94 122.8 18.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 108.305 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.512 HG23 ' O ' ' A' ' 75' ' ' ALA . 59.8 p -118.05 -52.56 2.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.387 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -63.95 -78.52 0.19 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.542 1.152 . . . . 0.0 111.013 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.8 p -129.19 163.76 24.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 0.735 . . . . 0.0 110.014 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.564 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 14.2 tp -115.4 125.58 53.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 57' ' ' ASP . 1.0 OUTLIER -114.9 105.34 12.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.526 ' HE1' ' CZ ' ' A' ' 19' ' ' PHE . 45.6 mtm -136.0 167.14 21.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 111.042 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.9 m -117.78 147.21 43.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.371 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.723 HD22 ' CG ' ' A' ' 51' ' ' ASP . 8.7 mt -117.74 159.6 22.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.431 ' HB2' HD21 ' A' ' 54' ' ' LEU . 39.7 tt0 -108.62 123.1 48.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.312 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -79.38 118.83 21.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.309 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -96.43 75.53 2.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.553 1.158 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.3 m 38.88 87.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.991 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . 52.49 -177.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -144.68 119.8 10.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -41.8 138.33 1.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.63 164.48 34.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.14 132.53 56.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 110.016 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -110.59 140.68 22.8 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.331 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 137.12 21.37 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.475 1.776 . . . . 0.0 111.019 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 16.7 m -76.65 124.62 35.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.22 135.78 54.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.992 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.4 m -91.06 167.11 12.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.096 . . . . 0.0 110.013 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -158.7 -178.53 32.8 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 109.43 2.93 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.508 1.794 . . . . 0.0 110.963 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.8 t -75.71 126.21 30.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.014 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 17.3 m -118.09 96.82 5.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 110.009 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.51 1.131 . . . . 0.0 110.967 179.996 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -137.79 112.42 8.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 0.743 . . . . 0.0 110.001 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.9 p -88.04 167.46 13.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 109.992 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.46 149.97 51.66 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.482 1.114 . . . . 0.0 110.964 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.9 m -118.1 -176.63 3.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 0.76 . . . . 0.0 110.018 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.9 m -168.08 168.12 12.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.987 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.57 144.75 4.46 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.502 1.126 . . . . 0.0 111.056 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.8 p -88.73 146.09 25.24 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 0.765 . . . . 0.0 110.016 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.673 HG11 HD11 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -117.04 153.69 18.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.274 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 36.1 t -122.62 122.53 39.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.995 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.458 HD12 ' HE2' ' A' ' 19' ' ' PHE . 39.3 mt -113.47 145.05 41.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.4 p -112.79 106.35 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -173.04 154.77 21.39 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.721 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.02 -6.94 18.68 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.438 1.757 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.721 ' HB2' ' O ' ' A' ' 14' ' ' PRO . . . 161.26 -49.63 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.709 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.96 80.24 2.47 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.505 1.792 . . . . 0.0 111.016 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.658 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 1.9 m95 -75.76 -22.22 56.68 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 107.83 -14.39 37.95 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.511 1.132 . . . . 0.0 110.987 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.545 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 1.4 p90 -106.31 157.98 17.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 0.739 . . . . 0.0 110.991 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.46 167.98 16.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.442 ' CD2' HD13 ' A' ' 33' ' ' ILE . 23.0 mt -121.02 161.81 21.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -158.42 147.77 19.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.174 . . . . 0.0 110.282 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.481 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 98.49 -163.12 20.72 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.519 1.137 . . . . 0.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.46 179.95 16.84 Favored Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.95 -44.67 79.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 0.746 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.71 -14.84 63.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.095 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.441 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 6.0 m-85 -97.49 -24.85 15.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.441 ' CB ' ' O ' ' A' ' 27' ' ' PHE . 1.3 t-20 77.8 46.16 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.481 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 3.0 ptm -167.46 165.75 8.49 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 111.009 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 152.82 41.15 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.475 1.776 . . . . 0.0 110.993 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 mt -75.48 109.71 9.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -118.09 168.24 10.74 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 110.436 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.585 HG22 ' CD1' ' A' ' 49' ' ' ILE . 17.6 mm -78.34 102.99 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -47.76 -62.14 1.6 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 110.01 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.15 -173.93 4.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.991 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.908 HD21 ' HB3' ' A' ' 42' ' ' ALA . 0.3 OUTLIER -156.53 158.73 37.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 62.1 tttt -95.11 147.22 23.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -51.74 117.69 2.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 50.15 41.22 38.18 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.52 -145.36 0.58 Allowed Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.15 -63.43 1.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.763 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.908 ' HB3' HD21 ' A' ' 36' ' ' LEU . . . -46.26 -42.31 14.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.4 t -62.26 -41.8 98.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.98 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -63.08 -24.81 68.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 110.27 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.76 7.88 31.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.112 . . . . 0.0 109.349 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 26.1 m-70 67.15 45.2 1.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 109.589 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 66.6 t -108.0 115.73 49.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.6 mtm180 -98.75 136.3 38.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 110.317 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.585 ' CD1' HG22 ' A' ' 33' ' ' ILE . 20.8 mm -41.09 141.39 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 109.349 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 109.39 -13.13 33.36 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.527 1.142 . . . . 0.0 111.045 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.755 ' OD1' HD22 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -53.96 141.96 26.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 0.787 . . . . 0.0 109.243 -179.945 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 73.2 t -108.69 118.0 55.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.487 HG11 ' CG1' ' A' ' 56' ' ' ILE . 28.8 t -72.79 103.97 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 87.7 mt -70.98 -39.19 72.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.3 m -152.18 159.61 43.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.123 . . . . 0.0 110.027 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.487 ' CG1' HG11 ' A' ' 53' ' ' VAL . 17.8 mt -131.37 128.98 62.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 81' ' ' ASN . 34.8 t70 55.22 20.58 3.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 97.0 -3.29 62.16 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.535 1.147 . . . . 0.0 110.98 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.424 HG13 ' CE ' ' A' ' 72' ' ' LYS . 5.1 mm -89.77 125.37 42.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.516 0.774 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.51 121.27 14.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.997 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -89.54 42.86 1.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -81.86 -39.37 24.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.275 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -131.8 46.71 1.05 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.488 1.118 . . . . 0.0 110.969 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.5 mtm -119.14 144.76 46.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 111.028 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 73.2 p -95.01 159.56 14.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.368 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -42.84 -53.43 4.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.559 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 11.7 tp -48.91 -56.91 7.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -50.16 -64.19 0.89 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.294 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.474 ' HB1' HD12 ' A' ' 56' ' ' ILE . . . -50.08 -47.02 53.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -57.9 -42.65 85.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -53.45 -52.78 58.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.424 ' CE ' HG13 ' A' ' 59' ' ' ILE . 36.6 mmtt -52.28 -53.46 43.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 6.8 mt -53.68 -30.15 18.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.98 -24.81 35.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.98 -13.07 57.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.279 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.522 ' SG ' HD12 ' A' ' 80' ' ' LEU . 74.6 m -89.41 97.57 11.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 108.318 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.8 p -105.97 85.34 2.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.407 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 144.24 -68.96 0.42 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.529 1.143 . . . . 0.0 110.957 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.0 p -130.54 159.5 36.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 0.76 . . . . 0.0 110.02 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.573 ' HB2' ' CH2' ' A' ' 17' ' ' TRP . 12.7 tp -122.51 133.87 54.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 109.279 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 57' ' ' ASP . 0.7 OUTLIER -128.11 105.28 8.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.286 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.437 ' HE1' ' CZ ' ' A' ' 19' ' ' PHE . 27.0 mtm -137.68 164.33 29.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 111.051 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.6 m -107.6 150.7 26.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 110.38 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.755 HD22 ' OD1' ' A' ' 51' ' ' ASP . 11.5 mt -124.62 160.3 28.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.344 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -113.97 120.18 39.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.259 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -81.84 119.36 23.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.318 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -125.07 78.95 1.75 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.18 82.73 1.99 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.995 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -168.24 107.08 0.5 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -173.97 175.94 2.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -175.11 86.39 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.35 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.32 119.98 39.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.9 m -115.54 109.76 18.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.008 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -100.38 132.8 21.96 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.32 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 117.48 4.93 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.512 1.796 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 77.5 t -98.21 100.64 10.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.316 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.0 m -105.82 146.08 30.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.022 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 32.4 p -168.71 155.24 7.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.976 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -129.55 70.35 0.52 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 98.61 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.54 1.811 . . . . 0.0 110.972 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.5 m -119.95 105.14 10.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.044 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.68 148.46 25.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.995 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.539 1.149 . . . . 0.0 110.978 -179.977 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.7 m -152.99 -57.01 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 0.773 . . . . 0.0 109.959 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.1 m -135.64 142.38 45.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.044 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.08 166.32 38.65 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.5 p -165.21 -57.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 0.741 . . . . 0.0 109.988 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.8 p -168.12 172.77 8.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.059 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.02 141.01 3.18 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.487 1.117 . . . . 0.0 111.026 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.3 p -99.24 154.7 17.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.593 0.82 . . . . 0.0 109.992 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.433 ' CG2' ' N ' ' A' ' 10' ' ' SER . 0.5 OUTLIER -121.43 160.12 23.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.433 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 19.0 t -128.4 122.99 32.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.999 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 70.3 mt -115.14 144.15 44.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 75.3 t -114.49 106.86 21.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -174.8 156.64 23.18 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.509 1.131 . . . . 0.0 110.945 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.706 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -75.05 -5.57 16.93 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.496 1.787 . . . . 0.0 111.004 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.729 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . . . 161.72 -50.14 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.729 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.95 78.67 2.83 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.472 1.775 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.625 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 2.2 m95 -73.0 -24.26 60.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 108.028 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.469 ' CA ' ' HB3' ' A' ' 37' ' ' LYS . . . 105.66 27.76 5.63 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.49 1.119 . . . . 0.0 110.984 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.591 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 1.2 p90 -148.7 144.29 27.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 0.762 . . . . 0.0 110.986 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.416 ' CB ' ' OG ' ' A' ' 34' ' ' SER . 5.2 mmm180 -111.19 165.35 11.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 21' ' ' LEU . 31.4 mt -126.21 157.68 37.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -158.07 153.17 25.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 110.302 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.486 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 98.17 -155.9 20.36 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.485 1.116 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 119.88 -176.65 16.22 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.437 ' HB3' HG22 ' A' ' 65' ' ' THR . 3.6 ttpt -66.73 -49.49 65.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 0.742 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.03 -18.66 47.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -98.95 -18.81 17.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 111.03 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.9 t30 75.49 39.42 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.486 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 5.9 ptm -161.45 164.98 17.44 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.997 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 156.58 42.7 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.48 1.779 . . . . 0.0 110.995 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.406 ' O ' ' HA ' ' A' ' 52' ' ' VAL . 1.6 mt -75.3 117.37 17.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.103 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -124.52 167.34 14.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.432 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 26.0 mm -78.49 101.65 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.416 ' OG ' ' CB ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -46.24 -59.9 2.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.993 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.89 179.72 8.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.994 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.876 HD12 ' HB3' ' A' ' 43' ' ' SER . 0.4 OUTLIER -119.4 167.78 11.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.469 ' HB3' ' CA ' ' A' ' 18' ' ' GLY . 11.8 tttt -114.78 128.02 56.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -42.41 115.29 0.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.6 47.81 81.67 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -90.74 179.32 42.93 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.63 -56.84 4.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 0.762 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.44 ' CB ' ' HB3' ' A' ' 19' ' ' PHE . . . -41.58 -58.68 1.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.876 ' HB3' HD12 ' A' ' 36' ' ' LEU . 2.9 p -47.61 -48.41 28.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.158 . . . . 0.0 109.983 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -65.11 -22.17 66.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.249 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 42' ' ' ALA . . . -90.67 15.21 11.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.41 ' HA ' ' NH2' ' A' ' 48' ' ' ARG . 14.6 m-70 62.28 49.63 4.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.602 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.462 HG22 HD11 ' A' ' 84' ' ' LEU . 47.5 t -108.27 98.96 7.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.455 ' NH2' ' O ' ' A' ' 43' ' ' SER . 8.9 mmp_? -87.82 165.65 15.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.338 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 1.9 mt -72.8 129.43 35.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 111.68 -13.46 27.4 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.555 1.159 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -53.76 123.42 12.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.578 0.81 . . . . 0.0 109.281 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.406 ' HA ' ' O ' ' A' ' 31' ' ' LEU . 81.9 t -90.1 127.64 42.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.48 ' CG1' HG13 ' A' ' 56' ' ' ILE . 38.6 t -82.46 105.87 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 37.7 mt -70.25 -47.89 59.36 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 0.0 109.341 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 25.2 m -142.62 162.57 35.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.155 . . . . 0.0 109.992 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.509 ' CD1' ' HB1' ' A' ' 69' ' ' ALA . 35.1 mt -136.76 117.33 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.249 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 81' ' ' ASN . 18.6 t70 61.83 39.28 14.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 77.04 2.04 76.27 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.506 1.129 . . . . 0.0 110.982 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.468 HG13 ' CE ' ' A' ' 72' ' ' LYS . 2.9 mm -96.95 123.53 49.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.519 0.776 . . . . 0.0 109.264 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.1 123.99 21.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 110.001 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -88.19 44.58 1.21 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -99.21 67.23 1.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.334 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 136.35 -39.2 1.68 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.496 1.122 . . . . 0.0 110.978 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 13.1 mtm -43.93 137.48 3.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 0.75 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.437 HG22 ' HB3' ' A' ' 25' ' ' LYS . 68.0 p -83.1 168.38 16.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.341 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -49.01 -49.27 41.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.605 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 1.01 HD13 ' N ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -58.41 -49.52 76.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 1.01 ' N ' HD13 ' A' ' 67' ' ' LEU . 2.7 mt-10 -47.85 -56.98 6.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.509 ' HB1' ' CD1' ' A' ' 56' ' ' ILE . . . -58.6 -43.14 89.44 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -60.9 -40.45 93.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.715 ' ND2' HD21 ' A' ' 67' ' ' LEU . 1.4 m-20 -56.62 -49.19 75.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.587 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 36.2 mmtm -56.91 -52.12 66.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.612 ' HA ' HD11 ' A' ' 80' ' ' LEU . 5.6 mt -48.17 -49.99 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.344 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.09 -26.38 67.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.587 ' HB3' ' O ' ' A' ' 72' ' ' LYS . . . -66.66 -19.23 65.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.335 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 14.1 p -42.14 150.9 0.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 108.291 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 71.4 p -122.08 -44.12 2.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 110.401 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -133.01 -48.05 0.1 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.483 1.114 . . . . 0.0 110.974 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.78 154.6 45.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 0.775 . . . . 0.0 110.036 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.612 HD11 ' HA ' ' A' ' 73' ' ' ILE . 9.8 tp -98.05 145.78 26.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.217 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.408 ' O ' ' N ' ' A' ' 57' ' ' ASP . 0.6 OUTLIER -137.1 104.83 5.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.441 ' HE1' HD23 ' A' ' 80' ' ' LEU . 27.3 mtm -135.47 146.37 48.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.1 m -91.82 144.26 25.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.435 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.462 HD11 HG22 ' A' ' 47' ' ' VAL . 62.5 mt -115.77 155.36 27.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -101.68 120.36 40.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 110.323 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -77.24 120.45 22.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -140.7 80.6 1.76 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 66.3 m -75.04 169.07 18.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.013 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -89.65 118.99 29.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -119.97 84.73 2.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -170.31 130.44 0.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.466 ' CD ' ' N ' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -147.32 131.48 17.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.135 . . . . 0.0 109.332 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.05 109.14 16.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.994 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -103.58 106.27 51.32 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 125.61 9.39 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.437 1.757 . . . . 0.0 111.012 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 83.7 t -117.99 138.29 49.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.53 113.68 23.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.978 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.1 m -76.65 137.56 39.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.029 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 133.92 92.66 0.47 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.5 1.125 . . . . 0.0 111.026 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 144.77 30.5 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.527 1.804 . . . . 0.0 110.95 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.3 t -111.53 140.0 46.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 110.003 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.1 t -133.36 109.22 9.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.991 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.496 1.123 . . . . 0.0 111.042 179.966 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.945 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.0 p -124.79 156.65 37.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 0.725 . . . . 0.0 110.011 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.96 143.48 19.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.008 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.53 83.5 1.74 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.496 1.123 . . . . 0.0 110.98 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.35 153.72 2.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 0.787 . . . . 0.0 110.019 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.2 m -86.38 -80.91 0.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.998 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.78 106.67 0.47 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.114 . . . . 0.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 54.2 p -105.65 157.52 17.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 0.754 . . . . 0.0 110.006 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.465 ' CG2' ' N ' ' A' ' 10' ' ' SER . 1.6 p -144.11 164.06 14.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.465 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 33.9 t -137.34 126.01 23.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.028 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.423 ' O ' ' HA ' ' A' ' 79' ' ' SER . 12.5 mt -111.31 154.38 24.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 69.5 t -118.46 107.59 22.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.165 . . . . 0.0 109.302 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -175.3 154.89 19.09 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.477 1.111 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.712 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.96 -6.43 18.07 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.474 1.776 . . . . 0.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.723 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . . . 161.94 -49.87 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.723 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.0 76.16 3.48 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.503 1.791 . . . . 0.0 110.996 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.812 ' NE1' HD22 ' A' ' 80' ' ' LEU . 2.9 m95 -69.73 -24.82 63.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 108.016 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.476 ' CA ' ' HB3' ' A' ' 37' ' ' LYS . . . 104.84 30.1 4.99 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.443 1.089 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.584 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 1.6 p90 -148.98 155.76 41.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 0.754 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -119.96 164.1 16.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.295 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.441 HD23 HD13 ' A' ' 33' ' ' ILE . 77.9 mt -128.69 152.69 48.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -156.25 148.38 23.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 110.251 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.477 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 103.46 -158.52 17.28 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 121.34 -173.35 15.58 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.15 -54.62 19.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 0.773 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -57.67 -18.8 22.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -96.83 -15.03 21.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 35.6 t-20 72.25 36.37 1.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.477 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 4.2 ptm -160.89 165.25 17.59 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.09 . . . . 0.0 110.982 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 155.56 42.95 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.519 1.799 . . . . 0.0 110.982 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.486 HD21 ' HA ' ' A' ' 66' ' ' HIS . 5.0 mt -75.29 110.85 9.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 109.268 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -118.84 166.89 12.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 110.398 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.441 HD13 HD23 ' A' ' 21' ' ' LEU . 26.2 mm -78.24 105.11 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.26 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.5 -61.52 1.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.023 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.571 ' HA ' HD11 ' A' ' 49' ' ' ILE . 0.6 OUTLIER -154.8 175.75 13.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.008 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.861 HD12 ' HB3' ' A' ' 43' ' ' SER . 0.3 OUTLIER -115.16 158.47 22.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.476 ' HB3' ' CA ' ' A' ' 18' ' ' GLY . 3.0 tttt -101.91 137.8 39.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -46.1 117.4 1.53 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 46.18 48.31 15.25 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -86.29 -174.71 49.61 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -73.86 -58.42 3.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 0.0 109.324 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 45' ' ' ALA . . . -39.51 -56.66 1.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.861 ' HB3' HD12 ' A' ' 36' ' ' LEU . 70.1 p -47.59 -48.33 28.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.0 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -63.57 -21.43 66.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.277 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 42' ' ' ALA . . . -88.79 13.45 12.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.267 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 11.7 m-70 60.84 37.79 18.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.596 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.402 HG13 ' OD2' ' A' ' 51' ' ' ASP . 43.1 t -95.15 112.69 28.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.351 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.403 ' O ' ' OD1' ' A' ' 51' ' ' ASP . 5.0 mtm180 -101.31 157.76 16.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.32 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.571 HD11 ' HA ' ' A' ' 35' ' ' SER . 2.2 mt -63.2 131.41 28.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 113.4 -14.89 22.78 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.481 1.113 . . . . 0.0 110.974 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 48' ' ' ARG . 23.4 m-20 -54.45 123.58 13.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 0.802 . . . . 0.0 109.359 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 91.1 t -92.76 130.88 41.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.613 HG11 HD11 ' A' ' 56' ' ' ILE . 45.3 t -82.43 110.56 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 78.2 mt -76.78 -47.74 20.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.6 m -143.52 165.14 28.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.006 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.613 HD11 HG11 ' A' ' 53' ' ' VAL . 15.7 mt -142.96 131.48 20.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 26.1 t0 54.63 27.83 9.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 85.79 3.31 85.98 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.489 1.118 . . . . 0.0 111.035 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.412 ' O ' ' N ' ' A' ' 56' ' ' ILE . 3.7 mm -97.98 125.51 51.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 0.775 . . . . 0.0 109.258 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.5 t -66.77 125.42 25.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.008 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -87.51 44.66 1.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.273 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -103.3 41.27 1.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 155.39 44.13 0.02 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.47 1.106 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 31.4 mtm -133.86 139.99 46.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 0.785 . . . . 0.0 110.934 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 17.3 p -86.26 170.33 12.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.387 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.503 ' O ' ' CG ' ' A' ' 70' ' ' GLN . 3.1 t-160 -49.51 -44.92 46.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.581 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 1.006 HD13 ' N ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -58.34 -51.54 69.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.568 1.168 . . . . 0.0 109.283 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 1.006 ' N ' HD13 ' A' ' 67' ' ' LEU . 1.3 mt-10 -47.74 -64.72 0.71 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.125 . . . . 0.0 110.254 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.586 ' O ' HD12 ' A' ' 73' ' ' ILE . . . -48.74 -50.1 35.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.503 ' CG ' ' O ' ' A' ' 66' ' ' HIS . 6.2 mm-40 -55.57 -44.54 76.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.278 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.689 ' ND2' HD21 ' A' ' 67' ' ' LEU . 1.8 m-20 -53.53 -51.15 63.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.266 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 75' ' ' ALA . 28.8 mmtt -55.78 -58.63 7.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.565 1.166 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.725 ' HA ' HD11 ' A' ' 80' ' ' LEU . 4.2 mt -50.13 -43.38 21.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.348 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.2 mtpt -65.93 -26.39 67.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.817 ' O ' HG23 ' A' ' 77' ' ' THR . . . -77.36 -36.48 53.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.529 ' SG ' HD12 ' A' ' 80' ' ' LEU . 3.3 m -60.75 112.63 2.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 108.322 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.817 HG23 ' O ' ' A' ' 75' ' ' ALA . 64.6 p -115.58 90.07 3.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.402 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 135.31 -62.51 0.61 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.504 1.127 . . . . 0.0 110.998 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.423 ' HA ' ' O ' ' A' ' 11' ' ' LEU . 2.3 p -133.73 160.93 36.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 0.771 . . . . 0.0 109.997 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.812 HD22 ' NE1' ' A' ' 17' ' ' TRP . 8.4 tp -120.58 116.81 26.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -109.6 105.11 14.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 24.8 mtm -139.1 149.86 45.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 111.018 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.7 m -100.13 145.19 28.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.423 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 59.4 mt -115.26 160.7 19.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.239 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -105.55 122.28 45.69 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.493 1.121 . . . . 0.0 110.26 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.75 153.42 32.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.277 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -161.22 97.79 1.14 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.099 . . . . 0.0 109.281 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.419 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -116.05 173.87 6.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.01 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.419 ' HB2' ' O ' ' A' ' 88' ' ' SER . . . 179.81 172.91 0.96 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.268 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 59.75 90.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -90.03 85.15 6.24 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 59.8 82.47 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.2 t -105.19 131.2 52.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.994 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.72 151.63 58.58 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.27 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 101.37 1.46 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.489 1.784 . . . . 0.0 111.032 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 59.6 t -72.78 130.94 35.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.95 102.52 2.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.536 1.147 . . . . 0.0 109.985 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -175.39 84.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 110.037 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -160.14 -68.64 0.02 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 132.48 15.43 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.531 1.806 . . . . 0.0 110.967 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.6 m -101.21 156.68 17.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.13 . . . . 0.0 110.055 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.03 138.53 40.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.997 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.507 1.129 . . . . 0.0 111.025 -179.998 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.03 127.48 42.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.761 . . . . 0.0 109.951 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.2 -62.12 1.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.004 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.45 -134.1 10.47 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.547 1.154 . . . . 0.0 110.972 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.9 p -110.36 167.67 10.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 0.798 . . . . 0.0 110.02 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.0 p 50.27 -178.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.949 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.49 148.97 6.85 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.475 1.109 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.8 p -106.46 152.08 24.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 0.765 . . . . 0.0 109.996 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.44 HG21 ' HB1' ' A' ' 45' ' ' ALA . 0.4 OUTLIER -120.8 158.17 23.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.405 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 40.2 t -126.95 124.01 38.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.939 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 30.9 mt -115.53 149.15 38.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 75.4 t -117.54 106.55 20.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -173.92 154.71 20.25 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.494 1.121 . . . . 0.0 110.986 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.708 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 18.5 Cg_endo -74.98 -5.63 17.05 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.447 1.761 . . . . 0.0 111.048 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.725 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . . . 161.47 -49.93 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.725 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.05 78.21 2.96 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.501 1.79 . . . . 0.0 110.961 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.636 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 2.5 m95 -72.94 -23.58 60.7 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.463 ' O ' ' N ' ' A' ' 37' ' ' LYS . . . 106.13 28.15 5.35 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.572 ' CD2' ' HB2' ' A' ' 17' ' ' TRP . 2.3 p90 -150.17 152.07 34.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 0.743 . . . . 0.0 111.032 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.497 ' O ' HD23 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -116.55 163.64 15.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.577 1.173 . . . . 0.0 110.289 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.506 ' CD2' HD13 ' A' ' 33' ' ' ILE . 15.8 mt -123.18 149.58 44.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -150.59 152.54 34.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.319 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.481 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 96.1 -163.64 23.32 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.527 1.142 . . . . 0.0 111.033 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 128.81 174.59 13.77 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.9 ttpt -61.86 -29.29 70.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 0.784 . . . . 0.0 109.327 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -80.01 -20.19 46.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -99.93 0.43 41.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 110.999 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.2 m-20 61.35 39.3 15.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.481 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 7.0 ptm -162.81 163.5 17.57 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 111.016 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 158.45 42.53 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.492 1.786 . . . . 0.0 111.06 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.6 mt -75.75 113.42 13.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -123.23 168.62 12.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.391 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.506 HD13 ' CD2' ' A' ' 21' ' ' LEU . 34.2 mm -78.51 102.09 4.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.462 ' HB3' ' CB ' ' A' ' 20' ' ' ARG . 23.1 t -49.46 -64.43 0.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.994 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.492 ' HA ' HD11 ' A' ' 49' ' ' ILE . 0.6 OUTLIER -145.17 173.87 11.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 0.0 109.966 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.672 HD12 ' HB2' ' A' ' 43' ' ' SER . 0.2 OUTLIER -123.18 152.86 40.79 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 18' ' ' GLY . 14.3 tttt -95.84 134.57 38.65 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.77 126.28 15.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 41.66 53.56 4.37 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -100.54 -173.68 29.61 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -71.77 -57.48 4.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 0.739 . . . . 0.0 109.329 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 45' ' ' ALA . . . -39.83 -64.59 0.47 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.672 ' HB2' HD12 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -47.49 -46.67 27.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.954 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -59.89 -24.91 64.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 110.27 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 42' ' ' ALA . . . -86.53 8.81 20.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.254 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.448 ' O ' ' NH1' ' A' ' 48' ' ' ARG . 19.6 m-70 65.51 45.14 2.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.566 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 87.8 t -105.62 108.24 24.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.448 ' NH1' ' O ' ' A' ' 46' ' ' HIS . 0.1 OUTLIER -95.19 157.52 15.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 110.307 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.492 HD11 ' HA ' ' A' ' 35' ' ' SER . 2.5 mt -62.41 135.09 27.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 107.47 -11.41 39.35 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.497 1.123 . . . . 0.0 110.975 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -59.02 128.92 39.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 0.752 . . . . 0.0 109.273 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 83.5 t -94.5 138.3 21.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.455 HG11 ' CG1' ' A' ' 56' ' ' ILE . 28.5 t -91.34 102.53 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 26.4 mt -68.39 -41.74 80.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.8 p -140.57 168.54 19.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.015 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.455 ' CG1' HG11 ' A' ' 53' ' ' VAL . 35.5 mt -142.09 129.03 19.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 81' ' ' ASN . 8.3 t0 53.95 21.85 3.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 87.04 16.6 60.76 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.538 1.149 . . . . 0.0 111.012 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.3 mt -114.8 152.93 16.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 0.78 . . . . 0.0 109.339 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.63 123.48 21.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 110.013 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -93.83 22.31 5.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -88.72 94.57 9.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 122.32 -51.5 0.79 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.462 1.101 . . . . 0.0 111.006 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 33.2 mtm -41.82 133.47 2.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 0.764 . . . . 0.0 110.964 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.9 p -80.16 169.71 17.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.382 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.447 ' NE2' ' C ' ' A' ' 21' ' ' LEU . 3.8 t-160 -45.96 -59.22 2.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.614 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 1.008 HD13 ' N ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -47.21 -54.39 10.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 109.357 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 1.008 ' N ' HD13 ' A' ' 67' ' ' LEU . 1.4 mt-10 -47.69 -58.7 3.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.711 ' O ' HD12 ' A' ' 73' ' ' ILE . . . -52.32 -41.0 62.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -67.73 -37.82 82.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.281 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.705 ' ND2' HD21 ' A' ' 67' ' ' LEU . 1.2 m-20 -59.13 -49.82 76.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 26.0 mmmt -58.17 -52.98 63.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.711 HD12 ' O ' ' A' ' 69' ' ' ALA . 7.7 mt -55.57 -35.97 40.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.251 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -65.06 -46.92 79.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.8 -34.66 65.52 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.259 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.57 ' SG ' HD12 ' A' ' 80' ' ' LEU . 85.5 m -59.23 91.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 108.362 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.629 HG23 ' O ' ' A' ' 77' ' ' THR . 10.3 t -104.28 72.2 1.05 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.48 1.112 . . . . 0.0 110.412 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 157.16 -63.23 0.32 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.456 1.097 . . . . 0.0 110.982 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.9 p -139.13 159.41 42.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 0.732 . . . . 0.0 109.996 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.582 ' HB2' ' CH2' ' A' ' 17' ' ' TRP . 15.0 tp -118.84 131.14 56.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.451 ' O ' ' N ' ' A' ' 57' ' ' ASP . 0.7 OUTLIER -126.65 104.86 8.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 25.9 mtm -141.43 151.49 43.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.955 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.9 m -97.71 146.29 25.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.418 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 42.0 mt -116.58 164.48 14.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -116.55 127.41 54.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.358 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -76.68 121.27 23.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.324 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -110.76 79.37 1.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 80.0 p -98.93 167.66 10.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.03 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . 63.77 78.72 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -135.71 60.99 1.67 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.08 168.48 3.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.19 154.64 47.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.51 99.06 7.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.988 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -117.42 138.09 24.71 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 134.87 18.25 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 0.0 111.038 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 80.0 t -108.18 127.02 64.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 88.5 p -113.83 145.16 41.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.015 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.6 t -178.2 118.14 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.977 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -49.26 105.61 0.15 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.452 1.095 . . . . 0.0 110.991 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 69.7 5.47 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.482 1.78 . . . . 0.0 111.037 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 88.2 p -107.52 146.21 32.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.031 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -119.53 119.43 33.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.019 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.471 1.107 . . . . 0.0 111.057 179.954 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 t -113.81 82.42 1.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 0.791 . . . . 0.0 109.967 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.4 m -142.93 108.85 5.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.991 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.54 86.43 0.06 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.494 1.121 . . . . 0.0 111.033 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.01 144.71 0.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 0.747 . . . . 0.0 110.03 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.76 -176.12 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.008 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.54 149.49 5.81 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.479 1.112 . . . . 0.0 111.027 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.2 p -88.57 152.29 21.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 0.746 . . . . 0.0 109.976 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.473 ' CG2' ' N ' ' A' ' 10' ' ' SER . 1.5 p -126.66 164.62 26.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.351 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.473 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 46.8 t -134.23 123.85 24.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.963 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 17.1 mt -113.25 150.46 32.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.33 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.0 p -117.78 106.8 20.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.555 1.159 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -175.16 154.82 19.11 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.451 1.094 . . . . 0.0 111.015 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.71 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.99 -5.71 17.15 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.544 1.813 . . . . 0.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.724 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . . . 161.69 -50.19 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.724 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.01 76.46 3.4 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.454 1.765 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.62 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 2.5 m95 -70.5 -24.52 62.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 108.009 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 104.62 29.65 5.23 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.551 1.157 . . . . 0.0 110.97 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.575 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 1.3 p90 -150.86 145.41 25.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 0.773 . . . . 0.0 110.962 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.9 mtm180 -110.13 169.97 8.38 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.431 1.082 . . . . 0.0 110.264 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.478 ' CD2' HD13 ' A' ' 33' ' ' ILE . 48.3 mt -131.23 148.09 52.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -146.42 142.21 27.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.329 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.475 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 106.49 -163.81 13.53 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.517 1.136 . . . . 0.0 111.016 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 134.41 -171.05 22.4 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.96 -48.3 54.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 0.769 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.462 ' OD1' ' N ' ' A' ' 26' ' ' ASP . 4.5 p-10 -65.11 -22.41 66.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.427 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 7.4 m-85 -87.0 -21.62 26.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.427 ' CB ' ' O ' ' A' ' 27' ' ' PHE . 2.7 t30 77.3 28.42 0.61 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.475 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 3.5 ptm -151.91 165.01 18.38 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.541 1.15 . . . . 0.0 111.013 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 153.69 42.29 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.501 1.79 . . . . 0.0 110.98 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.1 mt -75.62 106.38 7.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.431 HG22 ' O ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -112.67 169.02 9.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 110.412 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.478 HD13 ' CD2' ' A' ' 21' ' ' LEU . 48.6 mm -78.35 100.56 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -47.41 -62.02 1.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.989 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.19 175.11 12.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.997 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.794 HD12 ' HB3' ' A' ' 43' ' ' SER . 0.2 OUTLIER -120.65 167.83 12.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -113.7 139.03 49.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -52.33 120.09 5.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 43.96 52.95 6.63 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.515 1.135 . . . . 0.0 110.982 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -103.89 163.57 15.27 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.88 -57.14 3.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 0.764 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.473 ' CB ' ' HB3' ' A' ' 19' ' ' PHE . . . -43.25 -67.3 0.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.794 ' HB3' HD12 ' A' ' 36' ' ' LEU . 26.8 p -47.55 -48.04 27.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 110.027 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -58.3 -23.73 57.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.099 . . . . 0.0 110.329 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.455 ' HB1' HG21 ' A' ' 9' ' ' VAL . . . -95.14 26.46 3.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.575 1.172 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.417 ' HA ' ' NH2' ' A' ' 48' ' ' ARG . 20.7 m-70 48.31 52.03 14.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.635 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 60.1 t -107.31 98.16 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.417 ' NH2' ' HA ' ' A' ' 46' ' ' HIS . 9.0 mmp_? -86.78 166.06 15.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.115 . . . . 0.0 110.279 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.1 mt -76.92 133.84 30.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 114.86 -13.52 19.95 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.526 1.141 . . . . 0.0 110.998 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.547 ' CG ' HD22 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -56.55 149.14 17.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 0.792 . . . . 0.0 109.312 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.43 ' N ' ' OD1' ' A' ' 51' ' ' ASP . 71.6 t -117.66 115.03 47.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.501 ' CG1' ' O ' ' A' ' 55' ' ' SER . 87.8 t -71.57 100.32 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.402 HD11 ' HB2' ' A' ' 85' ' ' GLN . 82.7 mt -68.29 -40.64 81.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.35 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.501 ' O ' ' CG1' ' A' ' 53' ' ' VAL . 31.9 p -134.28 168.63 18.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.964 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.494 ' CD1' ' HB1' ' A' ' 69' ' ' ALA . 46.3 mt -142.32 99.21 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 109.249 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 81' ' ' ASN . 29.3 t0 65.13 46.53 2.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.9 18.66 74.56 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.561 1.163 . . . . 0.0 110.973 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.6 mm -114.94 142.83 26.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.525 0.779 . . . . 0.0 109.343 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.08 117.75 14.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.115 . . . . 0.0 110.014 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -94.59 31.61 1.75 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -83.61 -57.66 3.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.314 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -105.93 55.31 0.55 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.537 1.148 . . . . 0.0 110.978 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 16.8 mtm -133.05 136.49 45.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 0.747 . . . . 0.0 110.951 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 34.3 p -84.28 160.26 20.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 110.407 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.408 ' CE1' ' O ' ' A' ' 21' ' ' LEU . 3.5 t-160 -44.91 -53.5 7.52 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 109.599 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 15.3 tp -52.89 -59.64 4.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 0.0 109.338 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -47.47 -59.71 3.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.283 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.494 ' HB1' ' CD1' ' A' ' 56' ' ' ILE . . . -51.0 -48.97 61.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.259 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -56.19 -44.45 79.43 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.562 1.163 . . . . 0.0 110.28 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -49.54 -54.39 18.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.407 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 32.1 mmtm -51.61 -58.16 7.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.586 1.179 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.42 ' HA ' HD11 ' A' ' 80' ' ' LEU . 7.1 mt -47.69 -40.68 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.1 mttp -63.92 -40.8 97.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 72' ' ' LYS . . . -56.32 -39.28 72.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 0.0 109.274 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.6 m -66.0 110.15 2.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 108.311 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 10.2 t -106.48 -29.76 9.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.378 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -86.22 -69.38 1.33 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.0 p -139.54 163.65 31.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 0.767 . . . . 0.0 110.004 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.579 ' HB2' ' CH2' ' A' ' 17' ' ' TRP . 11.9 tp -111.62 124.73 52.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.407 ' O ' ' N ' ' A' ' 57' ' ' ASP . 0.8 OUTLIER -119.54 104.84 10.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.34 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 40.2 mtm -138.33 148.38 44.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.2 m -94.74 147.19 23.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.437 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.547 HD22 ' CG ' ' A' ' 51' ' ' ASP . 5.8 mt -118.0 163.8 16.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.402 ' HB2' HD11 ' A' ' 54' ' ' LEU . 19.3 tt0 -115.82 142.89 46.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.83 153.98 36.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -122.05 85.91 2.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.97 166.51 18.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.986 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . 61.97 163.65 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 62.91 124.68 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 62.36 76.35 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.74 167.19 21.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 63.1 p -103.35 134.11 47.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.016 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -100.91 149.4 36.17 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.271 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 165.32 31.59 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.546 1.814 . . . . 0.0 111.015 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 9.6 p -72.76 146.05 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.06 108.39 3.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.998 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.6 p -170.21 139.97 1.85 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.142 . . . . 0.0 110.014 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 158.75 179.49 33.64 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.503 1.127 . . . . 0.0 110.946 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 92.63 0.97 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.448 1.762 . . . . 0.0 110.991 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.9 p -113.45 128.81 56.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.979 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 30.9 t -99.65 101.33 12.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.017 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 -179.987 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.3 m 61.7 95.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 0.784 . . . . 0.0 110.018 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t -123.1 149.86 43.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.979 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.62 61.93 4.67 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.8 t -72.98 91.25 1.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 0.74 . . . . 0.0 109.976 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.2 t -122.23 -84.0 0.66 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.026 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.93 137.46 2.44 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.488 1.118 . . . . 0.0 110.962 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.6 p -92.27 159.86 15.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 0.781 . . . . 0.0 110.018 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.604 ' CG1' ' HB1' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -121.58 165.65 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.283 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 45.5 t -138.45 114.57 10.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.977 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 39.1 mt -110.82 150.32 29.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 72.3 t -118.09 106.97 20.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.346 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -175.4 156.19 21.64 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.558 1.161 . . . . 0.0 110.99 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.712 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.95 -5.81 17.28 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.488 1.783 . . . . 0.0 111.011 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.722 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . . . 161.67 -50.04 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.722 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -75.02 77.18 3.2 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.503 1.791 . . . . 0.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.614 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 2.3 m95 -71.08 -24.96 62.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 108.022 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.44 ' CA ' ' HB3' ' A' ' 37' ' ' LYS . . . 106.36 28.43 5.18 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.491 1.119 . . . . 0.0 111.031 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.59 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 1.1 p90 -147.91 148.23 30.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.441 0.73 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -113.0 170.98 7.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.133 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.449 ' CD1' HD11 ' A' ' 73' ' ' ILE . 78.8 mt -130.37 155.21 46.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -154.27 151.96 29.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.257 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.499 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 94.61 -157.48 22.4 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.487 1.117 . . . . 0.0 111.015 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 125.51 -170.45 17.41 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.5 mtmt -72.38 -49.27 35.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 0.79 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -64.46 -17.31 63.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -95.25 -15.68 23.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 0.0 111.001 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 70.82 41.46 0.87 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.256 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.499 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 3.5 ptm -164.36 165.75 12.52 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.107 . . . . 0.0 111.024 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 154.55 42.42 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.497 1.788 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.6 mt -75.19 116.14 15.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -123.76 166.24 15.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.387 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.476 HG21 ' CD2' ' A' ' 36' ' ' LEU . 19.7 mm -78.46 103.87 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.15 -63.43 1.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 110.01 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -150.63 176.32 11.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.0 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.535 HD11 ' HB3' ' A' ' 42' ' ' ALA . 0.5 OUTLIER -124.01 163.09 22.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.312 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.44 ' HB3' ' CA ' ' A' ' 18' ' ' GLY . 18.3 tttt -111.38 141.58 44.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -55.75 123.24 13.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 52.04 50.99 42.97 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -102.79 159.03 17.65 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.82 -52.89 36.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 0.785 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.535 ' HB3' HD11 ' A' ' 36' ' ' LEU . . . -46.68 -64.58 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.435 ' N ' HD11 ' A' ' 36' ' ' LEU . 1.7 t -47.84 -47.64 31.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.009 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -61.68 -22.14 65.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.276 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.604 ' HB1' ' CG1' ' A' ' 9' ' ' VAL . . . -92.85 21.2 5.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.421 ' HA ' ' NH2' ' A' ' 48' ' ' ARG . 12.8 m-70 54.31 50.35 16.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.62 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 39.8 t -108.27 98.63 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.421 ' NH2' ' HA ' ' A' ' 46' ' ' HIS . 8.9 mmp_? -87.72 165.59 15.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 22.6 mm -71.57 138.85 20.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.63 -14.11 56.43 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.45 1.094 . . . . 0.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -53.79 127.77 27.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 0.766 . . . . 0.0 109.26 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 73.9 t -94.96 125.63 47.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.464 ' CG1' HG13 ' A' ' 56' ' ' ILE . 26.9 t -83.47 114.08 23.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 22.6 mt -80.44 -34.03 36.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.3 p -145.9 163.44 35.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 110.034 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.636 ' CD1' ' HB1' ' A' ' 69' ' ' ALA . 19.1 mt -140.48 99.14 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 81' ' ' ASN . 2.8 t0 72.76 43.65 0.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.68 13.95 69.33 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.515 1.134 . . . . 0.0 110.95 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.464 HG13 ' CE ' ' A' ' 72' ' ' LYS . 2.7 mm -109.27 143.26 19.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.451 0.736 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.89 119.64 16.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 110.031 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -94.82 25.7 3.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -84.74 -59.52 2.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.253 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -98.68 48.82 1.33 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.497 1.123 . . . . 0.0 110.953 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 19.2 mtm -132.96 139.4 47.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 0.785 . . . . 0.0 111.041 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.0 p -77.61 171.57 14.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.397 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -57.5 -56.76 17.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.607 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 1.037 HD13 ' N ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -49.82 -49.0 50.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.342 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 1.037 ' N ' HD13 ' A' ' 67' ' ' LEU . 51.3 mm-40 -49.09 -65.14 0.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.332 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.636 ' HB1' ' CD1' ' A' ' 56' ' ' ILE . . . -46.17 -40.68 11.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.595 ' HA ' HD12 ' A' ' 73' ' ' ILE . 2.6 mt-30 -67.55 -38.77 84.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 110.317 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.695 ' ND2' HD21 ' A' ' 67' ' ' LEU . 1.3 m-20 -58.7 -48.24 81.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.267 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.688 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 29.4 mmtm -54.48 -48.3 71.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.595 HD12 ' HA ' ' A' ' 70' ' ' GLN . 6.6 mt -50.48 -47.97 26.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.5 -23.89 66.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.359 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.688 ' HB3' ' O ' ' A' ' 72' ' ' LYS . . . -69.23 -19.08 63.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 14.9 p -41.98 135.59 2.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 108.312 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.621 HG23 ' O ' ' A' ' 77' ' ' THR . 12.5 t -127.35 48.28 2.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 110.424 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 136.03 -54.02 0.74 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.517 1.136 . . . . 0.0 111.03 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -140.46 162.93 34.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.769 . . . . 0.0 110.02 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.583 ' HB2' ' CH2' ' A' ' 17' ' ' TRP . 11.1 tp -108.8 144.82 36.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.427 ' O ' ' N ' ' A' ' 57' ' ' ASP . 0.6 OUTLIER -135.3 104.9 6.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.507 ' O ' HG23 ' A' ' 9' ' ' VAL . 21.3 mtm -136.36 155.48 50.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 111.029 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.1 m -103.77 142.75 33.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.426 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 43.3 mt -114.74 152.52 31.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -95.08 118.6 32.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.258 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.53 152.09 36.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.279 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -171.09 94.1 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.3 p -46.27 169.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.007 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -111.86 149.43 31.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -115.17 101.41 8.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -140.62 143.86 35.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.77 57.42 1.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.36 131.7 38.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.99 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -96.64 147.23 32.62 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 149.7 36.94 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.503 1.791 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 10.8 p -129.96 133.15 64.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 47.5 t -110.99 146.86 35.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.023 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.9 p -172.33 140.71 1.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.979 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 152.9 119.7 0.79 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.48 1.113 . . . . 0.0 110.972 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 117.55 4.93 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.529 1.805 . . . . 0.0 111.006 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.2 m -93.9 127.93 39.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.995 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.96 114.23 16.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.038 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.474 1.109 . . . . 0.0 110.964 -179.983 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.0 p -161.89 120.03 2.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 0.745 . . . . 0.0 109.987 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.7 m -42.36 -54.96 3.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.014 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.59 70.72 0.04 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.52 1.137 . . . . 0.0 111.006 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.1 m 49.61 95.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 0.783 . . . . 0.0 110.015 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.4 p 53.79 172.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.127 . . . . 0.0 109.98 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.07 128.88 1.93 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.514 1.134 . . . . 0.0 110.963 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.7 m -90.48 169.21 11.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 0.752 . . . . 0.0 110.017 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.474 HG22 ' N ' ' A' ' 10' ' ' SER . 1.7 p -142.58 165.22 16.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.474 ' N ' HG22 ' A' ' 9' ' ' VAL . 36.8 t -136.06 129.37 31.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.962 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.483 HD13 ' HB3' ' A' ' 17' ' ' TRP . 30.0 mt -116.22 147.24 41.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.2 p -118.61 106.39 19.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.265 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -174.62 156.38 22.88 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.477 1.111 . . . . 0.0 111.015 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.715 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 18.1 Cg_endo -74.99 -4.45 15.43 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.475 1.776 . . . . 0.0 110.99 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.722 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . . . 161.78 -50.07 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.722 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.94 78.51 2.86 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.463 1.77 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.587 ' CZ2' ' HB2' ' A' ' 80' ' ' LEU . 2.8 m95 -71.5 -25.7 62.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 108.013 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.474 ' CA ' ' HB3' ' A' ' 37' ' ' LYS . . . 103.57 30.87 5.1 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.524 1.14 . . . . 0.0 110.99 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.61 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 0.7 OUTLIER -150.2 141.97 23.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 0.779 . . . . 0.0 110.984 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.58 171.0 7.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.45 ' CD2' HD13 ' A' ' 33' ' ' ILE . 40.6 mt -131.54 157.13 44.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -160.67 142.67 12.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.475 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 107.01 -156.76 15.87 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.532 1.145 . . . . 0.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 119.34 -162.44 13.69 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.617 ' HB3' HG22 ' A' ' 65' ' ' THR . 3.2 ttmm -76.04 -49.45 17.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 0.762 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -60.33 -20.33 58.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -100.98 -6.33 24.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 59.92 47.34 10.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.475 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 3.5 ptm -165.97 165.57 10.57 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 110.992 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 154.64 42.61 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.525 1.803 . . . . 0.0 110.996 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.598 HD21 ' HA ' ' A' ' 66' ' ' HIS . 3.7 mt -74.99 115.44 14.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -122.91 167.25 13.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.373 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.45 HD13 ' CD2' ' A' ' 21' ' ' LEU . 50.3 mm -78.38 103.63 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.16 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -47.62 -54.41 11.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.001 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -159.89 175.95 12.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.997 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.861 HD12 ' HB2' ' A' ' 43' ' ' SER . 0.3 OUTLIER -117.3 167.91 10.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.26 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.474 ' HB3' ' CA ' ' A' ' 18' ' ' GLY . 35.3 tttt -117.32 129.78 56.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -41.85 127.58 3.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 38.72 56.4 2.07 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -104.86 160.45 15.38 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.12 -52.35 26.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 0.742 . . . . 0.0 109.286 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.477 ' CB ' ' HB3' ' A' ' 19' ' ' PHE . . . -45.71 -66.43 0.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.861 ' HB2' HD12 ' A' ' 36' ' ' LEU . 12.7 t -47.44 -46.54 26.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.021 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -55.39 -25.45 35.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.323 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 42' ' ' ALA . . . -88.04 11.24 16.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 13.4 m170 64.4 37.98 7.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.577 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.461 HG22 HD11 ' A' ' 84' ' ' LEU . 97.3 t -93.16 114.75 30.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.1 mtm180 -99.43 163.93 12.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 110.337 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.3 mt -69.61 135.91 27.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 105.54 -12.5 47.05 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.535 1.147 . . . . 0.0 110.966 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.424 ' OD2' HD13 ' A' ' 84' ' ' LEU . 34.6 m-20 -55.17 131.43 45.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 0.754 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 79.1 t -97.74 125.79 50.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.478 ' CG1' ' O ' ' A' ' 55' ' ' SER . 71.8 t -80.48 106.38 11.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.44 HD21 ' HB2' ' A' ' 85' ' ' GLN . 54.8 mt -72.38 -38.3 68.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.082 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.478 ' O ' ' CG1' ' A' ' 53' ' ' VAL . 9.4 p -141.29 170.9 14.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.999 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.563 HG22 ' HB3' ' A' ' 72' ' ' LYS . 90.3 mt -144.45 94.17 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.095 . . . . 0.0 109.338 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 75.26 42.06 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 72.89 9.31 75.29 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.3 mm -102.05 141.45 18.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 0.75 . . . . 0.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.02 119.48 14.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.027 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -93.99 24.86 3.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -90.94 82.7 5.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.339 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 131.12 -46.36 1.08 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.522 1.139 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 44.3 mtm -47.03 123.36 5.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 0.753 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.617 HG22 ' HB3' ' A' ' 25' ' ' LYS . 16.1 p -76.23 171.36 14.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 110.387 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.598 ' HA ' HD21 ' A' ' 31' ' ' LEU . 2.4 t-160 -39.95 -59.29 1.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.621 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.966 HD13 ' N ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -48.68 -61.5 2.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.966 ' N ' HD13 ' A' ' 67' ' ' LEU . 2.5 mt-10 -42.19 -53.5 4.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.118 . . . . 0.0 110.279 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.1 -47.28 85.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.441 1.088 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -58.91 -43.57 91.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.271 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.759 ' ND2' HD21 ' A' ' 67' ' ' LEU . 1.5 m-20 -57.15 -46.81 82.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.72 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 14.5 mmmt -53.79 -56.6 16.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.547 HG12 HD21 ' A' ' 80' ' ' LEU . 5.0 mt -46.12 -53.49 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.25 -32.52 16.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.72 ' HB3' ' O ' ' A' ' 72' ' ' LYS . . . -58.08 -22.07 48.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.404 ' C ' ' O ' ' A' ' 75' ' ' ALA . 17.1 p -41.53 137.64 1.51 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 108.284 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 10.1 t -133.02 23.94 4.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.378 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 163.91 -53.28 0.29 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.482 1.114 . . . . 0.0 110.983 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.1 p -141.7 164.47 30.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 0.727 . . . . 0.0 110.042 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.587 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 13.7 tp -117.47 128.17 54.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.402 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.9 OUTLIER -122.18 105.14 9.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.567 ' SD ' HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -128.11 165.69 19.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.2 m -114.45 146.95 40.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.394 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.461 HD11 HG22 ' A' ' 47' ' ' VAL . 39.1 mt -116.38 163.48 15.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.44 ' HB2' HD21 ' A' ' 54' ' ' LEU . 33.9 tt0 -110.82 123.68 50.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -79.06 119.78 22.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.332 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -136.08 78.56 1.72 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -148.39 170.89 16.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 110.048 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . 63.51 127.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -131.6 165.58 23.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.13 . . . . 0.0 109.329 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 54.52 95.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -47.79 150.42 1.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.4 t -111.61 108.95 18.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.983 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.0 151.39 37.49 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.227 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 146.06 32.0 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.482 1.78 . . . . 0.0 110.978 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 11.4 p -84.43 147.64 5.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.155 . . . . 0.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -104.21 127.65 51.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.979 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.51 106.97 0.66 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.107 . . . . 0.0 109.993 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 116.15 -159.41 13.89 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.496 1.122 . . . . 0.0 111.021 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 155.34 42.77 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.475 1.777 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -107.75 131.18 54.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.006 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 9.4 m -113.17 136.74 52.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.014 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.478 1.111 . . . . 0.0 110.967 179.992 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.3 m -64.0 150.95 44.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 0.774 . . . . 0.0 110.008 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -105.24 -64.38 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.06 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.57 147.39 11.65 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -109.19 118.82 37.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 0.767 . . . . 0.0 109.965 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.2 p -177.82 173.69 1.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.995 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.32 144.21 3.99 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.469 1.105 . . . . 0.0 111.036 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.3 t -99.55 161.69 13.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 0.741 . . . . 0.0 109.964 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.505 HG22 ' N ' ' A' ' 10' ' ' SER . 2.4 p -129.73 166.34 27.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.505 ' N ' HG22 ' A' ' 9' ' ' VAL . 42.8 t -138.24 119.06 14.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.997 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 20.7 mt -108.68 149.41 29.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.426 ' O ' HG13 ' A' ' 12' ' ' VAL . 7.6 p -116.65 106.21 19.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -176.68 155.59 18.9 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.524 1.14 . . . . 0.0 111.021 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.713 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -74.97 -6.0 17.51 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.524 1.802 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.713 ' HB2' ' O ' ' A' ' 14' ' ' PRO . . . 161.37 -49.71 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.71 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.96 76.63 3.33 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.491 1.785 . . . . 0.0 111.008 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.625 ' CD1' ' O ' ' A' ' 15' ' ' ALA . 2.6 m95 -70.86 -24.36 62.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 107.986 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.642 ' O ' HD13 ' A' ' 36' ' ' LEU . . . 105.02 24.75 7.09 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.44 1.088 . . . . 0.0 111.026 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.589 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 1.0 OUTLIER -144.76 153.07 41.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 0.745 . . . . 0.0 111.03 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -117.67 175.62 5.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.264 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.413 ' O ' ' CE1' ' A' ' 66' ' ' HIS . 50.5 mt -136.53 147.51 47.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -143.5 148.64 36.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.247 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.479 ' HA3' ' CG ' ' A' ' 29' ' ' MET . . . 105.64 -161.34 14.58 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 28' ' ' ASN . . . 127.36 166.31 12.08 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.64 -42.29 64.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 0.784 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -64.48 -31.46 72.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.313 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -86.72 -17.73 32.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 111.0 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 24' ' ' GLY . 4.9 t-20 73.12 42.48 0.44 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.479 ' CG ' ' HA3' ' A' ' 23' ' ' GLY . 4.1 ptm -161.29 164.77 18.01 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 156.37 42.95 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.517 1.799 . . . . 0.0 111.013 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.401 ' O ' ' HA ' ' A' ' 52' ' ' VAL . 4.1 mt -75.38 111.05 10.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -117.51 168.73 10.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.397 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.631 HG21 ' CD2' ' A' ' 36' ' ' LEU . 19.7 mm -78.41 102.26 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.244 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.47 -59.99 3.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.992 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -151.82 176.68 11.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 110.017 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.957 HD11 ' HB3' ' A' ' 42' ' ' ALA . 0.2 OUTLIER -133.87 147.89 51.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 109.344 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.93 133.3 35.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -44.43 119.01 1.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 58.79 43.4 96.54 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.525 1.14 . . . . 0.0 110.965 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -91.17 159.05 26.1 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 45' ' ' ALA . 0.1 OUTLIER -46.69 -64.84 0.67 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 0.776 . . . . 0.0 109.271 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.957 ' HB3' HD11 ' A' ' 36' ' ' LEU . . . -42.9 -49.34 5.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.5 t -55.59 -39.92 71.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.994 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 41' ' ' LYS . 0.5 OUTLIER -82.67 -14.26 54.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.261 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.478 ' HB1' HG21 ' A' ' 9' ' ' VAL . . . -88.13 12.91 12.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 29.4 m-70 66.6 34.08 6.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.589 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 96.2 t -96.65 110.33 24.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.7 mtm180 -101.53 133.86 45.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.325 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.1 mt -42.16 134.61 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 108.14 -15.05 36.69 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.48 1.113 . . . . 0.0 110.993 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -56.81 127.77 33.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.769 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.401 ' HA ' ' O ' ' A' ' 31' ' ' LEU . 72.5 t -93.24 133.18 35.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.415 HG11 ' CG1' ' A' ' 56' ' ' ILE . 22.6 t -86.01 102.21 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.092 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.538 HD21 ' HB2' ' A' ' 85' ' ' GLN . 41.5 mt -69.23 -41.22 77.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 2.2 p -139.22 166.35 24.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 110.003 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.505 HG22 ' HB3' ' A' ' 72' ' ' LYS . 74.2 mt -140.44 109.9 3.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 81' ' ' ASN . 1.1 t70 62.38 35.56 14.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 0.0 109.299 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 79.28 15.19 80.6 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.444 1.09 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.407 ' O ' ' HA ' ' A' ' 55' ' ' SER . 2.4 mm -108.97 139.52 31.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.476 0.75 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.04 124.12 22.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.979 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -97.87 29.11 3.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.341 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.88 43.44 1.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 110.28 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 157.53 44.67 0.02 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.482 1.113 . . . . 0.0 110.981 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 23.1 mtm -133.63 133.55 42.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 0.781 . . . . 0.0 111.034 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 55.5 p -79.41 161.02 26.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 110.394 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.413 ' CE1' ' O ' ' A' ' 21' ' ' LEU . 1.8 t-160 -46.96 -58.61 3.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.586 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 11.0 tp -46.72 -53.97 10.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.337 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -55.83 -58.4 8.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.283 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.436 ' O ' HD12 ' A' ' 73' ' ' ILE . . . -50.9 -48.55 60.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.165 . . . . 0.0 109.319 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -55.91 -43.99 77.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.274 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.72 -50.41 72.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.619 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 22.4 mmtm -46.58 -59.29 3.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.595 ' HA ' HD11 ' A' ' 80' ' ' LEU . 3.0 mt -42.85 -50.32 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.449 1.093 . . . . 0.0 109.353 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.413 ' C ' ' N ' ' A' ' 76' ' ' CYS . 0.0 OUTLIER -50.09 -41.64 48.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.619 ' HB3' ' O ' ' A' ' 72' ' ' LYS . . . -44.92 -26.53 0.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.433 ' HB3' HD13 ' A' ' 80' ' ' LEU . 21.2 p -41.26 123.03 1.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 108.251 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 7.2 t -105.91 -13.92 15.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.432 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -161.45 -49.59 0.02 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.553 1.158 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.3 p -137.45 161.73 35.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 0.744 . . . . 0.0 109.963 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.595 HD11 ' HA ' ' A' ' 73' ' ' ILE . 10.0 tp -105.87 137.87 43.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 57' ' ' ASP . 0.6 OUTLIER -129.91 104.64 7.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 33.5 mtm -140.71 147.09 38.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.157 . . . . 0.0 111.009 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.401 ' O ' HD23 ' A' ' 84' ' ' LEU . 7.0 m -93.95 149.62 21.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.403 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.401 HD23 ' O ' ' A' ' 83' ' ' THR . 48.1 mt -117.63 163.38 16.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.538 ' HB2' HD21 ' A' ' 54' ' ' LEU . 27.0 tt0 -112.39 150.58 30.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -86.51 153.68 21.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -159.44 80.44 0.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.74 88.7 2.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.138 . . . . 0.0 110.0 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -173.52 94.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.331 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -174.51 124.33 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 109.308 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 65.41 -169.3 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.404 ' CD ' ' N ' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -141.68 134.32 28.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -126.29 143.36 51.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.948 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -115.53 153.47 47.75 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 108.9 2.82 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.489 1.783 . . . . 0.0 110.969 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.414 HG22 ' H ' ' A' ' 96' ' ' VAL . 11.9 m -74.05 106.23 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.43 102.2 7.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.459 1.1 . . . . 0.0 110.018 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.9 t -166.97 108.1 0.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.002 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -141.09 157.29 25.95 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.517 1.135 . . . . 0.0 110.976 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 178.76 6.84 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.463 1.77 . . . . 0.0 111.006 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -87.94 150.4 23.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.046 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -94.51 113.96 25.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.056 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.49 1.119 . . . . 0.0 111.034 -179.982 . . . . . . . . 0 0 . 1 stop_ save_